(NE)-N-[(1S,2S,5S)-2-piperidin-1-yl-9-bicyclo[3.3.1]nonanylidene]hydroxylamine

C14H24N2O — CID 98091468

IUPAC(NE)-N-[(1S,2S,5S)-2-piperidin-1-yl-9-bicyclo[3.3.1]nonanylidene]hydroxylamine
SMILESO/N=C1\[C@H]2CCC[C@H]1[C@@H](N1CCCCC1)CC2
InChIInChI=1S/C14H24N2O/c17-15-14-11-5-4-6-12(14)13(8-7-11)16-9-2-1-3-10-16/h11-13,17H,1-10H2/b15-14+/t11-,12-,13-/m0/s1
InChIKeyUEMQBUNIAKDORY-VEBXKOBCSA-N
MW236.36 g/mol
LogP2.88
Rot. Bonds1

About (NE)-N-[(1S,2S,5S)-2-piperidin-1-yl-9-bicyclo[3.3.1]nonanylidene]hydroxylamine

(NE)-N-[(1S,2S,5S)-2-piperidin-1-yl-9-bicyclo[3.3.1]nonanylidene]hydroxylamine (PubChem CID 98091468) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (NE)-N-[(1S,2S,5S)-2-piperidin-1-yl-9-bicyclo[3.3.1]nonanylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1S,2S,5S)-2-piperidin-1-yl-9-bicyclo[3.3.1]nonanylidene]hydroxylamine
PubChem CID98091468
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(NE)-N-[(1S,2S,5S)-2-piperidin-1-yl-9-bicyclo[3.3.1]nonanylidene]hydroxylamine
SMILESO/N=C1\[C@H]2CCC[C@H]1[C@@H](N1CCCCC1)CC2
InChIInChI=1S/C14H24N2O/c17-15-14-11-5-4-6-12(14)13(8-7-11)16-9-2-1-3-10-16/h11-13,17H,1-10H2/b15-14+/t11-,12-,13-/m0/s1
InChIKeyUEMQBUNIAKDORY-VEBXKOBCSA-N
XLogP2.88
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,2S,5S)-2-piperidin-1-yl-9-bicyclo[3.3.1]nonanylidene]hydroxylamine with MolForge

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

Launch Full Analysis

Related Compounds

(1R,2S,5R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-one
CID 7114611
(1S,2R,5S)-2-piperidin-1-ylbicyclo[3.2.1]octan-8-one
CID 18555210
N-[(1S,2S,5R)-2-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanylidene]hydroxylamine
CID 42620530
N-[2-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanylidene]hydroxylamine iodide
CID 2828558
(1R,2R,5S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-one
CID 6554736
(1R,2S,5S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-one
CID 50935523
trans-(1S,2S)-2-piperidin-1-ylcyclopentan-1-ol
CID 54511107
trans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol
CID 131701520
cis-(1S,2R)-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 93317277
(NZ)-N-[(1S,3R,4S)-3-[4-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]-1,4-diazepan-1-yl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 125027487
(NE)-N-(2-piperidin-1-ium-1-yl-8-bicyclo[3.2.1]octanylidene)hydroxylamine chloride
CID 134064026
cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol
CID 124555057

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1S,2S,5S)-2-piperidin-1-yl-9-bicyclo[3.3.1]nonanylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1S,2S,5S)-2-piperidin-1-yl-9-bicyclo[3.3.1]nonanylidene]hydroxylamine (CID 98091468) is (NE)-N-[(1S,2S,5S)-2-piperidin-1-yl-9-bicyclo[3.3.1]nonanylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1S,2S,5S)-2-piperidin-1-yl-9-bicyclo[3.3.1]nonanylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1S,2S,5S)-2-piperidin-1-yl-9-bicyclo[3.3.1]nonanylidene]hydroxylamine is O/N=C1\[C@H]2CCC[C@H]1[C@@H](N1CCCCC1)CC2.
What is the InChIKey of (NE)-N-[(1S,2S,5S)-2-piperidin-1-yl-9-bicyclo[3.3.1]nonanylidene]hydroxylamine?
The InChIKey is UEMQBUNIAKDORY-VEBXKOBCSA-N. The full InChI is InChI=1S/C14H24N2O/c17-15-14-11-5-4-6-12(14)13(8-7-11)16-9-2-1-3-10-16/h11-13,17H,1-10H2/b15-14+/t11-,12-,13-/m0/s1.
What are the key properties of (NE)-N-[(1S,2S,5S)-2-piperidin-1-yl-9-bicyclo[3.3.1]nonanylidene]hydroxylamine?
(NE)-N-[(1S,2S,5S)-2-piperidin-1-yl-9-bicyclo[3.3.1]nonanylidene]hydroxylamine has a molecular weight of 236.36 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1S,2S,5S)-2-piperidin-1-yl-9-bicyclo[3.3.1]nonanylidene]hydroxylamine is sourced from PubChem (CID 98091468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).