(1S,2R,3R,4R)-3-amino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxamide;(1R,2R,3R,4S)-3'-[(dimethylamino)methyl]spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine;(1S,2R,4R)-N,N-dimethyl-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,3Z,4R)-3-hydroxyimino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,4R)-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxylic acid;propane;hydrochloride

C76H122ClN7O8 — CID 172935569

About (1S,2R,3R,4R)-3-amino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxamide;(1R,2R,3R,4S)-3'-[(dimethylamino)methyl]spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine;(1S,2R,4R)-N,N-dimethyl-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,3Z,4R)-3-hydroxyimino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,4R)-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxylic acid;propane;hydrochloride

(1S,2R,3R,4R)-3-amino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxamide;(1R,2R,3R,4S)-3'-[(dimethylamino)methyl]spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine;(1S,2R,4R)-N,N-dimethyl-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,3Z,4R)-3-hydroxyimino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,4R)-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxylic acid;propane;hydrochloride (PubChem CID 172935569) has the molecular formula C76H122ClN7O8 and a molecular weight of 1297.31 g/mol. Its IUPAC name is (1S,2R,3R,4R)-3-amino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxamide;(1R,2R,3R,4S)-3'-[(dimethylamino)methyl]spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine;(1S,2R,4R)-N,N-dimethyl-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,3Z,4R)-3-hydroxyimino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,4R)-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxylic acid;propane;hydrochloride.

Molecular Properties

• Compound Name: (1S,2R,3R,4R)-3-amino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxamide;(1R,2R,3R,4S)-3'-[(dimethylamino)methyl]spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine;(1S,2R,4R)-N,N-dimethyl-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,3Z,4R)-3-hydroxyimino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,4R)-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxylic acid;propane;hydrochloride
• PubChem CID: 172935569
• Molecular Formula: C76H122ClN7O8
• Molecular Weight: 1297.31 g/mol
• Exact Mass: 1295.90
• IUPAC Name: (1S,2R,3R,4R)-3-amino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxamide;(1R,2R,3R,4S)-3'-[(dimethylamino)methyl]spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine;(1S,2R,4R)-N,N-dimethyl-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,3Z,4R)-3-hydroxyimino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,4R)-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxylic acid;propane;hydrochloride
• SMILES: CCC.CN(C)C(=O)C1=CCC[C@]2(C1)/C(=N\O)[C@@H]1CC[C@H]2C1.CN(C)C(=O)C1=CCC[C@]2(C1)C(=O)[C@@H]1CC[C@H]2C1.CN(C)C(=O)C1CCC[C@@]2(C1)[C@H]1CC[C@H](C1)[C@H]2N.CN(C)CC1CCC[C@@]2(C1)[C@H]1CC[C@H](C1)[C@H]2N.Cl.O=C(O)C1=CCC[C@]2(C1)C(=O)[C@@H]1CC[C@H]2C1
• InChI: InChI=1S/C15H22N2O2.C15H26N2O.C15H28N2.C15H21NO2.C13H16O3.C3H8.ClH/c1-17(2)14(18)11-4-3-7-15(9-11)12-6-5-10(8-12)13(15)16-19;1-17(2)14(18)11-4-3-7-15(9-11)12-6-5-10(8-12)13(15)16;1-17(2)10-11-4-3-7-15(9-11)13-6-5-12(8-13)14(15)16;1-16(2)14(18)11-4-3-7-15(9-11)12-6-5-10(8-12)13(15)17;14-11-8-3-4-10(6-8)13(11)5-1-2-9(7-13)12(15)16;1-3-2;/h4,10,12,19H,3,5-9H2,1-2H3;10-13H,3-9,16H2,1-2H3;11-14H,3-10,16H2,1-2H3;4,10,12H,3,5-9H2,1-2H3;2,8,10H,1,3-7H2,(H,15,16);3H2,1-2H3;1H/b16-13-;;;;;;/t10-,12+,15-;10-,11?,12+,13-,15-;11?,12-,13+,14-,15-;10-,12+,15-;8-,10+,13-;;/m11111../s1
• InChIKey: CWIROWPPNOCLIG-NLTYABDRSA-N
• XLogP: 13.10
• TPSA: 220.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1297.31
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,4R)-3-amino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxamide;(1R,2R,3R,4S)-3'-[(dimethylamino)methyl]spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine;(1S,2R,4R)-N,N-dimethyl-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,3Z,4R)-3-hydroxyimino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,4R)-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxylic acid;propane;hydrochloride?

The IUPAC name of (1S,2R,3R,4R)-3-amino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxamide;(1R,2R,3R,4S)-3'-[(dimethylamino)methyl]spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine;(1S,2R,4R)-N,N-dimethyl-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,3Z,4R)-3-hydroxyimino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,4R)-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxylic acid;propane;hydrochloride (CID 172935569) is (1S,2R,3R,4R)-3-amino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxamide;(1R,2R,3R,4S)-3'-[(dimethylamino)methyl]spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine;(1S,2R,4R)-N,N-dimethyl-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,3Z,4R)-3-hydroxyimino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,4R)-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxylic acid;propane;hydrochloride.

What is the SMILES notation for (1S,2R,3R,4R)-3-amino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxamide;(1R,2R,3R,4S)-3'-[(dimethylamino)methyl]spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine;(1S,2R,4R)-N,N-dimethyl-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,3Z,4R)-3-hydroxyimino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,4R)-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxylic acid;propane;hydrochloride?

The canonical SMILES for (1S,2R,3R,4R)-3-amino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxamide;(1R,2R,3R,4S)-3'-[(dimethylamino)methyl]spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine;(1S,2R,4R)-N,N-dimethyl-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,3Z,4R)-3-hydroxyimino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,4R)-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxylic acid;propane;hydrochloride is CCC.CN(C)C(=O)C1=CCC[C@]2(C1)/C(=N\O)[C@@H]1CC[C@H]2C1.CN(C)C(=O)C1=CCC[C@]2(C1)C(=O)[C@@H]1CC[C@H]2C1.CN(C)C(=O)C1CCC[C@@]2(C1)[C@H]1CC[C@H](C1)[C@H]2N.CN(C)CC1CCC[C@@]2(C1)[C@H]1CC[C@H](C1)[C@H]2N.Cl.O=C(O)C1=CCC[C@]2(C1)C(=O)[C@@H]1CC[C@H]2C1.

What is the InChIKey of (1S,2R,3R,4R)-3-amino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxamide;(1R,2R,3R,4S)-3'-[(dimethylamino)methyl]spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine;(1S,2R,4R)-N,N-dimethyl-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,3Z,4R)-3-hydroxyimino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,4R)-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxylic acid;propane;hydrochloride?

The InChIKey is CWIROWPPNOCLIG-NLTYABDRSA-N. The full InChI is InChI=1S/C15H22N2O2.C15H26N2O.C15H28N2.C15H21NO2.C13H16O3.C3H8.ClH/c1-17(2)14(18)11-4-3-7-15(9-11)12-6-5-10(8-12)13(15)16-19;1-17(2)14(18)11-4-3-7-15(9-11)12-6-5-10(8-12)13(15)16;1-17(2)10-11-4-3-7-15(9-11)13-6-5-12(8-13)14(15)16;1-16(2)14(18)11-4-3-7-15(9-11)12-6-5-10(8-12)13(15)17;14-11-8-3-4-10(6-8)13(11)5-1-2-9(7-13)12(15)16;1-3-2;/h4,10,12,19H,3,5-9H2,1-2H3;10-13H,3-9,16H2,1-2H3;11-14H,3-10,16H2,1-2H3;4,10,12H,3,5-9H2,1-2H3;2,8,10H,1,3-7H2,(H,15,16);3H2,1-2H3;1H/b16-13-;;;;;;/t10-,12+,15-;10-,11?,12+,13-,15-;11?,12-,13+,14-,15-;10-,12+,15-;8-,10+,13-;;/m11111../s1.

What are the key properties of (1S,2R,3R,4R)-3-amino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxamide;(1R,2R,3R,4S)-3'-[(dimethylamino)methyl]spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine;(1S,2R,4R)-N,N-dimethyl-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,3Z,4R)-3-hydroxyimino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,4R)-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxylic acid;propane;hydrochloride?

(1S,2R,3R,4R)-3-amino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxamide;(1R,2R,3R,4S)-3'-[(dimethylamino)methyl]spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine;(1S,2R,4R)-N,N-dimethyl-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,3Z,4R)-3-hydroxyimino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,4R)-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxylic acid;propane;hydrochloride has a molecular weight of 1297.31 g/mol, XLogP of 13.10, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2R,3R,4R)-3-amino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxamide;(1R,2R,3R,4S)-3'-[(dimethylamino)methyl]spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine;(1S,2R,4R)-N,N-dimethyl-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,3Z,4R)-3-hydroxyimino-N,N-dimethylspiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxamide;(1S,2R,4R)-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxylic acid;propane;hydrochloride is sourced from PubChem (CID 172935569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).