9-amino-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C17H31ClN2O3 — CID 120992794

IUPAC9-amino-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)NCC1(CCO)CCOC1)C2
InChIInChI=1S/C17H30N2O3.ClH/c18-15-12-2-1-3-13(15)9-14(8-12)16(21)19-10-17(4-6-20)5-7-22-11-17;/h12-15,20H,1-11,18H2,(H,19,21);1H
InChIKeyBICYSQRUYBVISG-UHFFFAOYSA-N
MW346.90 g/mol
LogP1.47
Rot. Bonds5

About 9-amino-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120992794) has the molecular formula C17H31ClN2O3 and a molecular weight of 346.90 g/mol. Its IUPAC name is 9-amino-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120992794
Molecular FormulaC17H31ClN2O3
Molecular Weight346.90 g/mol
Exact Mass346.20
IUPAC Name9-amino-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)NCC1(CCO)CCOC1)C2
InChIInChI=1S/C17H30N2O3.ClH/c18-15-12-2-1-3-13(15)9-14(8-12)16(21)19-10-17(4-6-20)5-7-22-11-17;/h12-15,20H,1-11,18H2,(H,19,21);1H
InChIKeyBICYSQRUYBVISG-UHFFFAOYSA-N
XLogP1.47
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 9-amino-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992642
9-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987365
9-amino-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989830
9-amino-N-(oxan-3-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986884
9-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987145
9-amino-N-(cyclopropylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984863
9-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988823
9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990322
N-[[1-(hydroxymethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 115455350
1-[(1S,4R)-4-tert-butylcycloheptyl]-3-[[(3S)-3-(2-hydroxyethyl)oxolan-3-yl]methyl]urea
CID 129414071
9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985035
9-amino-N-(3-amino-3-oxopropyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986072

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120992794) is 9-amino-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)NCC1(CCO)CCOC1)C2.
What is the InChIKey of 9-amino-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is BICYSQRUYBVISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3.ClH/c18-15-12-2-1-3-13(15)9-14(8-12)16(21)19-10-17(4-6-20)5-7-22-11-17;/h12-15,20H,1-11,18H2,(H,19,21);1H.
What are the key properties of 9-amino-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120992794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).