9-amino-N-(oxan-3-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C16H29ClN2O2 — CID 120986884

IUPAC9-amino-N-(oxan-3-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)NCC1CCCOC1)C2
InChIInChI=1S/C16H28N2O2.ClH/c17-15-12-4-1-5-13(15)8-14(7-12)16(19)18-9-11-3-2-6-20-10-11;/h11-15H,1-10,17H2,(H,18,19);1H
InChIKeyBHXXIJFFTFQZCD-UHFFFAOYSA-N
MW316.87 g/mol
LogP2.10
Rot. Bonds3

About 9-amino-N-(oxan-3-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-(oxan-3-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120986884) has the molecular formula C16H29ClN2O2 and a molecular weight of 316.87 g/mol. Its IUPAC name is 9-amino-N-(oxan-3-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-(oxan-3-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120986884
Molecular FormulaC16H29ClN2O2
Molecular Weight316.87 g/mol
Exact Mass316.19
IUPAC Name9-amino-N-(oxan-3-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)NCC1CCCOC1)C2
InChIInChI=1S/C16H28N2O2.ClH/c17-15-12-4-1-5-13(15)8-14(7-12)16(19)18-9-11-3-2-6-20-10-11;/h11-15H,1-10,17H2,(H,18,19);1H
InChIKeyBHXXIJFFTFQZCD-UHFFFAOYSA-N
XLogP2.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.87
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-N-(cyclopropylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984863
9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987251
9-amino-N-[2-(cyclopropylmethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120994182
9-amino-N-[(2-propan-2-yloxan-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991857
N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 114146502
9-amino-N-[(2-propan-2-yloxolan-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991798
3-amino-5-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 113396384
(3R)-N-(oxan-3-ylmethyl)piperidine-3-carboxamide
CID 81128117
9-amino-N-(3-amino-3-oxopropyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986072
1-methyl-3-(oxan-3-ylmethyl)urea
CID 115588448
N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide
CID 106123693
9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990322

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(oxan-3-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-(oxan-3-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120986884) is 9-amino-N-(oxan-3-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-(oxan-3-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-(oxan-3-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)NCC1CCCOC1)C2.
What is the InChIKey of 9-amino-N-(oxan-3-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is BHXXIJFFTFQZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2.ClH/c17-15-12-4-1-5-13(15)8-14(7-12)16(19)18-9-11-3-2-6-20-10-11;/h11-15H,1-10,17H2,(H,18,19);1H.
What are the key properties of 9-amino-N-(oxan-3-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-(oxan-3-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 316.87 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(oxan-3-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120986884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).