1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclohexane-1-carboxamide

C16H30N2O2 — CID 119344511

IUPAC1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclohexane-1-carboxamide
SMILESCCOCCC1(CNC(=O)C2(N)CCCCC2)CCC1
InChIInChI=1S/C16H30N2O2/c1-2-20-12-11-15(7-6-8-15)13-18-14(19)16(17)9-4-3-5-10-16/h2-13,17H2,1H3,(H,18,19)
InChIKeyVQWFNPXTWJAVEO-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.36
Rot. Bonds7

About 1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclohexane-1-carboxamide

1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclohexane-1-carboxamide (PubChem CID 119344511) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclohexane-1-carboxamide
PubChem CID119344511
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclohexane-1-carboxamide
SMILESCCOCCC1(CNC(=O)C2(N)CCCCC2)CCC1
InChIInChI=1S/C16H30N2O2/c1-2-20-12-11-15(7-6-8-15)13-18-14(19)16(17)9-4-3-5-10-16/h2-13,17H2,1H3,(H,18,19)
InChIKeyVQWFNPXTWJAVEO-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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]cyclopropane-1-carboxamide
CID 119820293
4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120936241
3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119820336
1-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119322718
N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119812194
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120638803
(2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride
CID 119820348
2-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpentanamide;hydrochloride
CID 119820346
2-(cyclopropylmethylamino)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119820320
(2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119812179
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119820324
4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride
CID 119339941

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclohexane-1-carboxamide (CID 119344511) is 1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclohexane-1-carboxamide is CCOCCC1(CNC(=O)C2(N)CCCCC2)CCC1.
What is the InChIKey of 1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is VQWFNPXTWJAVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-2-20-12-11-15(7-6-8-15)13-18-14(19)16(17)9-4-3-5-10-16/h2-13,17H2,1H3,(H,18,19).
What are the key properties of 1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclohexane-1-carboxamide?
1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119344511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).