(NE)-N-[(1S,3R,4R)-3-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

C14H25N3O — CID 98158038

IUPAC(NE)-N-[(1S,3R,4R)-3-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESC[C@H]1CCC[C@H](C)N1N[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2
InChIInChI=1S/C14H25N3O/c1-9-4-3-5-10(2)17(9)15-13-11-6-7-12(8-11)14(13)16-18/h9-13,15,18H,3-8H2,1-2H3/b16-14+/t9-,10-,11+,12-,13+/m0/s1
InChIKeyCUUTVEXDJZAFRI-LRUHCLNMSA-N
MW251.37 g/mol
LogP2.38
Rot. Bonds2

About (NE)-N-[(1S,3R,4R)-3-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

(NE)-N-[(1S,3R,4R)-3-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (PubChem CID 98158038) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (NE)-N-[(1S,3R,4R)-3-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1S,3R,4R)-3-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
PubChem CID98158038
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(NE)-N-[(1S,3R,4R)-3-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESC[C@H]1CCC[C@H](C)N1N[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2
InChIInChI=1S/C14H25N3O/c1-9-4-3-5-10(2)17(9)15-13-11-6-7-12(8-11)14(13)16-18/h9-13,15,18H,3-8H2,1-2H3/b16-14+/t9-,10-,11+,12-,13+/m0/s1
InChIKeyCUUTVEXDJZAFRI-LRUHCLNMSA-N
XLogP2.38
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze (NE)-N-[(1S,3R,4R)-3-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1S,3R,4R)-3-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1S,3R,4R)-3-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (CID 98158038) is (NE)-N-[(1S,3R,4R)-3-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1S,3R,4R)-3-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1S,3R,4R)-3-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is C[C@H]1CCC[C@H](C)N1N[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2.
What is the InChIKey of (NE)-N-[(1S,3R,4R)-3-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The InChIKey is CUUTVEXDJZAFRI-LRUHCLNMSA-N. The full InChI is InChI=1S/C14H25N3O/c1-9-4-3-5-10(2)17(9)15-13-11-6-7-12(8-11)14(13)16-18/h9-13,15,18H,3-8H2,1-2H3/b16-14+/t9-,10-,11+,12-,13+/m0/s1.
What are the key properties of (NE)-N-[(1S,3R,4R)-3-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
(NE)-N-[(1S,3R,4R)-3-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine has a molecular weight of 251.37 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1S,3R,4R)-3-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is sourced from PubChem (CID 98158038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).