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

C13H24N2O2 — CID 115448612

IUPAC1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NCC2CCCCC2O)CCC1
InChIInChI=1S/C13H24N2O2/c14-9-13(6-3-7-13)12(17)15-8-10-4-1-2-5-11(10)16/h10-11,16H,1-9,14H2,(H,15,17)
InChIKeyQGWBYOIXJKEGMN-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.78
Rot. Bonds4

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

1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide (PubChem CID 115448612) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
PubChem CID115448612
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NCC2CCCCC2O)CCC1
InChIInChI=1S/C13H24N2O2/c14-9-13(6-3-7-13)12(17)15-8-10-4-1-2-5-11(10)16/h10-11,16H,1-9,14H2,(H,15,17)
InChIKeyQGWBYOIXJKEGMN-UHFFFAOYSA-N
XLogP0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119795410
1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]cyclobutane-1-carboxamide
CID 113311729
1-amino-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
CID 81168615
1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 115437973
1-(aminomethyl)-N-(cyclobutylmethyl)cyclobutane-1-carboxamide
CID 80587767
2-[1-(aminomethyl)cyclobutyl]-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 81169138
1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 115738374
3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
CID 119330203
4-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104963862
N-[(2-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 64929111
1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide
CID 106135703
3-ethyl-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide
CID 64913056

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide (CID 115448612) is 1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide is NCC1(C(=O)NCC2CCCCC2O)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is QGWBYOIXJKEGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-9-13(6-3-7-13)12(17)15-8-10-4-1-2-5-11(10)16/h10-11,16H,1-9,14H2,(H,15,17).
What are the key properties of 1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115448612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).