1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclohexane-1-carboxamide

C15H29N3O — CID 105415997

IUPAC1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclohexane-1-carboxamide
SMILESCN(C)C1(CNC(=O)C2(CN)CCCCC2)CCC1
InChIInChI=1S/C15H29N3O/c1-18(2)15(9-6-10-15)12-17-13(19)14(11-16)7-4-3-5-8-14/h3-12,16H2,1-2H3,(H,17,19)
InChIKeyHQWPSJPMEUIDGQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.50
Rot. Bonds5

About 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclohexane-1-carboxamide

1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclohexane-1-carboxamide (PubChem CID 105415997) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclohexane-1-carboxamide
PubChem CID105415997
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclohexane-1-carboxamide
SMILESCN(C)C1(CNC(=O)C2(CN)CCCCC2)CCC1
InChIInChI=1S/C15H29N3O/c1-18(2)15(9-6-10-15)12-17-13(19)14(11-16)7-4-3-5-8-14/h3-12,16H2,1-2H3,(H,17,19)
InChIKeyHQWPSJPMEUIDGQ-UHFFFAOYSA-N
XLogP1.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119830079
1-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]cyclobutane-1-carboxamide
CID 83111018
1-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclopropane-1-carboxamide
CID 115453085
1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide
CID 114116201
1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide
CID 103966787
1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450646
2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid
CID 115444268
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-[2-(dimethylamino)-2-oxoethyl]cyclobutane-1-carboxamide
CID 80588092
1-(aminomethyl)-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1-carboxamide
CID 113309913
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
CID 16625893

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclohexane-1-carboxamide (CID 105415997) is 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclohexane-1-carboxamide is CN(C)C1(CNC(=O)C2(CN)CCCCC2)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is HQWPSJPMEUIDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-18(2)15(9-6-10-15)12-17-13(19)14(11-16)7-4-3-5-8-14/h3-12,16H2,1-2H3,(H,17,19).
What are the key properties of 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclohexane-1-carboxamide?
1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 105415997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).