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

C14H26N2O2 — CID 113311729

IUPAC1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NCC2CCCCC2CO)CCC1
InChIInChI=1S/C14H26N2O2/c15-10-14(6-3-7-14)13(18)16-8-11-4-1-2-5-12(11)9-17/h11-12,17H,1-10,15H2,(H,16,18)
InChIKeyJCQKZBLLVBUJEA-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.03
Rot. Bonds5

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

1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]cyclobutane-1-carboxamide (PubChem CID 113311729) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]cyclobutane-1-carboxamide
PubChem CID113311729
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NCC2CCCCC2CO)CCC1
InChIInChI=1S/C14H26N2O2/c15-10-14(6-3-7-14)13(18)16-8-11-4-1-2-5-12(11)9-17/h11-12,17H,1-10,15H2,(H,16,18)
InChIKeyJCQKZBLLVBUJEA-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 115437973
1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
CID 115448612
1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119795410
1-(aminomethyl)-N-(cyclobutylmethyl)cyclobutane-1-carboxamide
CID 80587767
1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 115738374
1-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]cyclopentane-1-carboxamide
CID 103811415
4-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104963862
2-(1-aminocyclobutyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 79854939
1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptane-1-carboxamide
CID 63684148
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66478079
1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide
CID 106842065
1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide
CID 106135703

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]cyclobutane-1-carboxamide (CID 113311729) is 1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]cyclobutane-1-carboxamide is NCC1(C(=O)NCC2CCCCC2CO)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]cyclobutane-1-carboxamide?
The InChIKey is JCQKZBLLVBUJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c15-10-14(6-3-7-14)13(18)16-8-11-4-1-2-5-12(11)9-17/h11-12,17H,1-10,15H2,(H,16,18).
What are the key properties of 1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]cyclobutane-1-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 113311729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).