4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride

C17H33ClN2O3 — CID 120936241

IUPAC4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
SMILESCCOCCC1(CNC(=O)C2(CN)CCOCC2)CCCC1.Cl
InChIInChI=1S/C17H32N2O3.ClH/c1-2-21-10-7-16(5-3-4-6-16)14-19-15(20)17(13-18)8-11-22-12-9-17;/h2-14,18H2,1H3,(H,19,20);1H
InChIKeyGVBVOWIVILHHSN-UHFFFAOYSA-N
MW348.92 g/mol
LogP2.27
Rot. Bonds8

About 4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120936241) has the molecular formula C17H33ClN2O3 and a molecular weight of 348.92 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
PubChem CID120936241
Molecular FormulaC17H33ClN2O3
Molecular Weight348.92 g/mol
Exact Mass348.22
IUPAC Name4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
SMILESCCOCCC1(CNC(=O)C2(CN)CCOCC2)CCCC1.Cl
InChIInChI=1S/C17H32N2O3.ClH/c1-2-21-10-7-16(5-3-4-6-16)14-19-15(20)17(13-18)8-11-22-12-9-17;/h2-14,18H2,1H3,(H,19,20);1H
InChIKeyGVBVOWIVILHHSN-UHFFFAOYSA-N
XLogP2.27
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.92
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclohexane-1-carboxamide
CID 119344511
1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclopropane-1-carboxamide
CID 119820293
4-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxane-4-carboxamide
CID 120937401
4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride
CID 120932439
1-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 103813043
[1-(2-ethoxyethyl)cyclopentyl]methanamine
CID 62724287
4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride
CID 119339941
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120638803
4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]oxane-4-carboxamide
CID 113310160
(2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride
CID 119820348
(2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119812179
3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119820336

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride (CID 120936241) is 4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride is CCOCCC1(CNC(=O)C2(CN)CCOCC2)CCCC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is GVBVOWIVILHHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3.ClH/c1-2-21-10-7-16(5-3-4-6-16)14-19-15(20)17(13-18)8-11-22-12-9-17;/h2-14,18H2,1H3,(H,19,20);1H.
What are the key properties of 4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 348.92 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120936241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).