9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C20H37ClN2O2 — CID 120992642

IUPAC9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCOCCC1(CNC(=O)C2CC3CCCC(C2)C3N)CCCC1.Cl
InChIInChI=1S/C20H36N2O2.ClH/c1-2-24-11-10-20(8-3-4-9-20)14-22-19(23)17-12-15-6-5-7-16(13-17)18(15)21;/h15-18H,2-14,21H2,1H3,(H,22,23);1H
InChIKeyUCLNXCYDKXSXPT-UHFFFAOYSA-N
MW372.98 g/mol
LogP3.66
Rot. Bonds7

About 9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120992642) has the molecular formula C20H37ClN2O2 and a molecular weight of 372.98 g/mol. Its IUPAC name is 9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120992642
Molecular FormulaC20H37ClN2O2
Molecular Weight372.98 g/mol
Exact Mass372.25
IUPAC Name9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCOCCC1(CNC(=O)C2CC3CCCC(C2)C3N)CCCC1.Cl
InChIInChI=1S/C20H36N2O2.ClH/c1-2-24-11-10-20(8-3-4-9-20)14-22-19(23)17-12-15-6-5-7-16(13-17)18(15)21;/h15-18H,2-14,21H2,1H3,(H,22,23);1H
InChIKeyUCLNXCYDKXSXPT-UHFFFAOYSA-N
XLogP3.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.98
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119820344
2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977017
(2S,4S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120638797
N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-3-carboxamide
CID 119339952
9-amino-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992794
9-amino-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989830
2-(cyclopropylmethylamino)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119820320
(2S,5R)-5-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120796417
9-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986011
ethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate
CID 120987730
(2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide
CID 97100966
9-amino-N-(cyclopropylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984863

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120992642) is 9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CCOCCC1(CNC(=O)C2CC3CCCC(C2)C3N)CCCC1.Cl.
What is the InChIKey of 9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is UCLNXCYDKXSXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2.ClH/c1-2-24-11-10-20(8-3-4-9-20)14-22-19(23)17-12-15-6-5-7-16(13-17)18(15)21;/h15-18H,2-14,21H2,1H3,(H,22,23);1H.
What are the key properties of 9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 372.98 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120992642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).