1-(aminomethyl)-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1-carboxamide

C13H24N2O2 — CID 113309913

IUPAC1-(aminomethyl)-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1(CNC(=O)C2(CN)CCCCC2)COC1
InChIInChI=1S/C13H24N2O2/c1-12(9-17-10-12)8-15-11(16)13(7-14)5-3-2-4-6-13/h2-10,14H2,1H3,(H,15,16)
InChIKeyJMWVFWIFASAHKI-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.05
Rot. Bonds4

About 1-(aminomethyl)-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1-carboxamide

1-(aminomethyl)-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 113309913) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1-carboxamide
PubChem CID113309913
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(aminomethyl)-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1(CNC(=O)C2(CN)CCCCC2)COC1
InChIInChI=1S/C13H24N2O2/c1-12(9-17-10-12)8-15-11(16)13(7-14)5-3-2-4-6-13/h2-10,14H2,1H3,(H,15,16)
InChIKeyJMWVFWIFASAHKI-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-3-methyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide
CID 114094852
1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide
CID 103966787
1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450646
1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221086
1-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 103813043
1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclohexane-1-carboxamide
CID 105415997
1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide
CID 114116201
2-[1-(aminomethyl)cyclobutyl]-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 81168839
1-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119830079
2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid
CID 115444268
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid
CID 115437637
1-(aminomethyl)-N-(3-hydroxybutyl)cyclopentane-1-carboxamide
CID 81489303

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1-carboxamide (CID 113309913) is 1-(aminomethyl)-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1-carboxamide is CC1(CNC(=O)C2(CN)CCCCC2)COC1.
What is the InChIKey of 1-(aminomethyl)-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is JMWVFWIFASAHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(9-17-10-12)8-15-11(16)13(7-14)5-3-2-4-6-13/h2-10,14H2,1H3,(H,15,16).
What are the key properties of 1-(aminomethyl)-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1-carboxamide?
1-(aminomethyl)-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 113309913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).