1-(aminomethyl)-N-(2,2-diethyloxan-4-yl)cyclopentane-1-carboxamide

C16H30N2O2 — CID 83033815

IUPAC1-(aminomethyl)-N-(2,2-diethyloxan-4-yl)cyclopentane-1-carboxamide
SMILESCCC1(CC)CC(NC(=O)C2(CN)CCCC2)CCO1
InChIInChI=1S/C16H30N2O2/c1-3-16(4-2)11-13(7-10-20-16)18-14(19)15(12-17)8-5-6-9-15/h13H,3-12,17H2,1-2H3,(H,18,19)
InChIKeyGLIXPBGHDDSNHM-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.36
Rot. Bonds5

About 1-(aminomethyl)-N-(2,2-diethyloxan-4-yl)cyclopentane-1-carboxamide

1-(aminomethyl)-N-(2,2-diethyloxan-4-yl)cyclopentane-1-carboxamide (PubChem CID 83033815) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-diethyloxan-4-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-diethyloxan-4-yl)cyclopentane-1-carboxamide
PubChem CID83033815
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(aminomethyl)-N-(2,2-diethyloxan-4-yl)cyclopentane-1-carboxamide
SMILESCCC1(CC)CC(NC(=O)C2(CN)CCCC2)CCO1
InChIInChI=1S/C16H30N2O2/c1-3-16(4-2)11-13(7-10-20-16)18-14(19)15(12-17)8-5-6-9-15/h13H,3-12,17H2,1-2H3,(H,18,19)
InChIKeyGLIXPBGHDDSNHM-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

N-(2,2-diethyloxan-4-yl)-3-ethylpiperidine-3-carboxamide
CID 83036475
1-amino-N-(2,2-diethyloxan-4-yl)cyclobutane-1-carboxamide
CID 83028998
1-(aminomethyl)-N-(oxan-4-yl)cyclobutane-1-carboxamide
CID 80588748
3-amino-N-(2,2-diethyloxan-4-yl)-2-methoxypropanamide
CID 114145179
N-(2,2-diethyloxan-4-yl)pyrrolidine-1-carboxamide
CID 115865884
N-(2,2-diethyloxan-4-yl)prop-2-enamide
CID 83032720
2-amino-N-(2,2-diethyloxan-4-yl)-3,3-dimethylbutanamide
CID 112555896
2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-4-methylpentanamide
CID 83029071
1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide
CID 64732102
1-(2,2-diethyloxan-4-yl)-3-propylurea
CID 115865557
(2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide
CID 83029138
3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide
CID 83028921

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2-diethyloxan-4-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,2-diethyloxan-4-yl)cyclopentane-1-carboxamide (CID 83033815) is 1-(aminomethyl)-N-(2,2-diethyloxan-4-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-diethyloxan-4-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-diethyloxan-4-yl)cyclopentane-1-carboxamide is CCC1(CC)CC(NC(=O)C2(CN)CCCC2)CCO1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-diethyloxan-4-yl)cyclopentane-1-carboxamide?
The InChIKey is GLIXPBGHDDSNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-16(4-2)11-13(7-10-20-16)18-14(19)15(12-17)8-5-6-9-15/h13H,3-12,17H2,1-2H3,(H,18,19).
What are the key properties of 1-(aminomethyl)-N-(2,2-diethyloxan-4-yl)cyclopentane-1-carboxamide?
1-(aminomethyl)-N-(2,2-diethyloxan-4-yl)cyclopentane-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,2-diethyloxan-4-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 83033815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).