(1S,3R,6S,7S)-4-amino-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide

C11H19N3O — CID 98095665

IUPAC(1S,3R,6S,7S)-4-amino-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide
SMILESC[C@@]12CC[C@H]3C[C@@]1(C(N)=O)N(N)C[C@@]32C
InChIInChI=1S/C11H19N3O/c1-9-6-14(13)11(8(12)15)5-7(9)3-4-10(9,11)2/h7H,3-6,13H2,1-2H3,(H2,12,15)/t7-,9-,10-,11-/m0/s1
InChIKeyNVGRITGGWUFEBX-ASXGKARISA-N
MW209.29 g/mol
LogP0.23
Rot. Bonds1

About (1S,3R,6S,7S)-4-amino-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide

(1S,3R,6S,7S)-4-amino-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide (PubChem CID 98095665) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (1S,3R,6S,7S)-4-amino-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,3R,6S,7S)-4-amino-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide
PubChem CID98095665
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(1S,3R,6S,7S)-4-amino-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide
SMILESC[C@@]12CC[C@H]3C[C@@]1(C(N)=O)N(N)C[C@@]32C
InChIInChI=1S/C11H19N3O/c1-9-6-14(13)11(8(12)15)5-7(9)3-4-10(9,11)2/h7H,3-6,13H2,1-2H3,(H2,12,15)/t7-,9-,10-,11-/m0/s1
InChIKeyNVGRITGGWUFEBX-ASXGKARISA-N
XLogP0.23
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze (1S,3R,6S,7S)-4-amino-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide with MolForge

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Related Compounds

(3-carbamoyl-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-4-yl)-hydroxy-oxoazanium
CID 23962884
(3S)-4-acetyl-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylic acid
CID 102533934
(1S,3S,6R,7R)-4-acetyl-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylic acid
CID 129408696
(1R,3S,6R,7S)-6,7-dimethyl-4-[(Z)-1-pyridin-2-ylethylideneamino]-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide
CID 98151603
butyl 4-(cyclohexylcarbamoyl)-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylate
CID 86809294
N-[(1R,3S,6S,7S)-3-cyano-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-4-yl]acetamide
CID 98135407
(1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 164889496
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 139833586
2,3,4,5,6,6a-hexahydro-1H-pentalene-3a-carboxamide
CID 12962923
(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-3-yl)-piperidin-1-ylmethanone
CID 4647003
1-cyclopropylcyclohexane-1-carboxamide
CID 57435201
(1R,3R,6S,7R)-6,7-dimethyl-4-azoniatricyclo[4.3.0.03,7]nonane-3-carboxylate
CID 7140158

Frequently Asked Questions

What is the IUPAC name of (1S,3R,6S,7S)-4-amino-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The IUPAC name of (1S,3R,6S,7S)-4-amino-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide (CID 98095665) is (1S,3R,6S,7S)-4-amino-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide.
What is the SMILES notation for (1S,3R,6S,7S)-4-amino-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The canonical SMILES for (1S,3R,6S,7S)-4-amino-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide is C[C@@]12CC[C@H]3C[C@@]1(C(N)=O)N(N)C[C@@]32C.
What is the InChIKey of (1S,3R,6S,7S)-4-amino-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The InChIKey is NVGRITGGWUFEBX-ASXGKARISA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-6-14(13)11(8(12)15)5-7(9)3-4-10(9,11)2/h7H,3-6,13H2,1-2H3,(H2,12,15)/t7-,9-,10-,11-/m0/s1.
What are the key properties of (1S,3R,6S,7S)-4-amino-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide?
(1S,3R,6S,7S)-4-amino-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,6S,7S)-4-amino-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide is sourced from PubChem (CID 98095665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).