1-amino-N-[(4-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide

C12H22N2O2 — CID 106135620

IUPAC1-amino-N-[(4-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCC2CCC(O)CC2)CCC1
InChIInChI=1S/C12H22N2O2/c13-12(6-1-7-12)11(16)14-8-9-2-4-10(15)5-3-9/h9-10,15H,1-8,13H2,(H,14,16)
InChIKeyGWCNHWVHZNQSDD-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.54
Rot. Bonds3

About 1-amino-N-[(4-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide

1-amino-N-[(4-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide (PubChem CID 106135620) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-amino-N-[(4-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(4-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
PubChem CID106135620
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-amino-N-[(4-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCC2CCC(O)CC2)CCC1
InChIInChI=1S/C12H22N2O2/c13-12(6-1-7-12)11(16)14-8-9-2-4-10(15)5-3-9/h9-10,15H,1-8,13H2,(H,14,16)
InChIKeyGWCNHWVHZNQSDD-UHFFFAOYSA-N
XLogP0.54
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(cyclopentylmethyl)cyclopropane-1-carboxamide
CID 65463779
1-amino-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 54880967
1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide
CID 81168701
1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide
CID 106135703
N-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 114146551
1-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 63706981
1-amino-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
CID 81168615
1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
CID 95228987
1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119866892
1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 65465788
1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide
CID 64554630
1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64550637

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(4-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[(4-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide (CID 106135620) is 1-amino-N-[(4-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(4-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(4-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide is NC1(C(=O)NCC2CCC(O)CC2)CCC1.
What is the InChIKey of 1-amino-N-[(4-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is GWCNHWVHZNQSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-12(6-1-7-12)11(16)14-8-9-2-4-10(15)5-3-9/h9-10,15H,1-8,13H2,(H,14,16).
What are the key properties of 1-amino-N-[(4-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide?
1-amino-N-[(4-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(4-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 106135620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).