1-(aminomethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclobutane-1-carboxamide

C17H32N2O — CID 115447469

IUPAC1-(aminomethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclobutane-1-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)C2(CN)CCC2)CC1
InChIInChI=1S/C17H32N2O/c1-4-16(2,3)13-6-8-14(9-7-13)19-15(20)17(12-18)10-5-11-17/h13-14H,4-12,18H2,1-3H3,(H,19,20)
InChIKeyXFPVQPPXDWHUDZ-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.23
Rot. Bonds5

About 1-(aminomethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclobutane-1-carboxamide (PubChem CID 115447469) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclobutane-1-carboxamide
PubChem CID115447469
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-(aminomethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclobutane-1-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)C2(CN)CCC2)CC1
InChIInChI=1S/C17H32N2O/c1-4-16(2,3)13-6-8-14(9-7-13)19-15(20)17(12-18)10-5-11-17/h13-14H,4-12,18H2,1-3H3,(H,19,20)
InChIKeyXFPVQPPXDWHUDZ-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide
CID 115437435
1-(aminomethyl)-N-(3-methylcyclopentyl)cyclobutane-1-carboxamide
CID 114545052
1-(aminomethyl)-N-(oxan-4-yl)cyclobutane-1-carboxamide
CID 80588748
7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide
CID 43698547
1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119831826
1-(aminomethyl)-N-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxamide
CID 71234398
5-amino-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pentanamide
CID 104683788
(2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
CID 119272259
(2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide
CID 103928588
1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide
CID 115183609
1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide
CID 80598318
1-(aminomethyl)-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide
CID 104966706

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclobutane-1-carboxamide (CID 115447469) is 1-(aminomethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclobutane-1-carboxamide is CCC(C)(C)C1CCC(NC(=O)C2(CN)CCC2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclobutane-1-carboxamide?
The InChIKey is XFPVQPPXDWHUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-16(2,3)13-6-8-14(9-7-13)19-15(20)17(12-18)10-5-11-17/h13-14H,4-12,18H2,1-3H3,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclobutane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115447469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).