1-amino-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide

C12H22N2O2 — CID 81168615

IUPAC1-amino-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCC2CCCCC2O)CCC1
InChIInChI=1S/C12H22N2O2/c13-12(6-3-7-12)11(16)14-8-9-4-1-2-5-10(9)15/h9-10,15H,1-8,13H2,(H,14,16)
InChIKeyAUHOZSZCZBLHKJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.54
Rot. Bonds3

About 1-amino-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide

1-amino-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide (PubChem CID 81168615) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-amino-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
PubChem CID81168615
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-amino-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCC2CCCCC2O)CCC1
InChIInChI=1S/C12H22N2O2/c13-12(6-3-7-12)11(16)14-8-9-4-1-2-5-10(9)15/h9-10,15H,1-8,13H2,(H,14,16)
InChIKeyAUHOZSZCZBLHKJ-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-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
CID 115448612
1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119795410
N-[(2-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 64929111
1-amino-N-[(4-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
CID 106135620
1-ethoxy-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]cyclopentane-1-carboxamide
CID 124732651
1-amino-N-(cyclopentylmethyl)cyclopropane-1-carboxamide
CID 65463779
N-[(2-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 64928899
3-ethyl-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide
CID 64913056
2-[1-(aminomethyl)cyclobutyl]-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 81169138
(2R)-2-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 79001441
1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide
CID 81168701
3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
CID 119330203

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide (CID 81168615) is 1-amino-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide is NC1(C(=O)NCC2CCCCC2O)CCC1.
What is the InChIKey of 1-amino-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is AUHOZSZCZBLHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-12(6-3-7-12)11(16)14-8-9-4-1-2-5-10(9)15/h9-10,15H,1-8,13H2,(H,14,16).
What are the key properties of 1-amino-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide?
1-amino-N-[(2-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-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81168615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).