4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclohexane-1-carboxamide

C16H31N3O — CID 105420552

IUPAC4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C(=O)N(C)CC2(N(C)C)CCC2)CCC1N
InChIInChI=1S/C16H31N3O/c1-12-10-13(6-7-14(12)17)15(20)19(4)11-16(18(2)3)8-5-9-16/h12-14H,5-11,17H2,1-4H3
InChIKeyZQUXBGQCZRMFSX-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.69
Rot. Bonds4

About 4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclohexane-1-carboxamide

4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclohexane-1-carboxamide (PubChem CID 105420552) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclohexane-1-carboxamide
PubChem CID105420552
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C(=O)N(C)CC2(N(C)C)CCC2)CCC1N
InChIInChI=1S/C16H31N3O/c1-12-10-13(6-7-14(12)17)15(20)19(4)11-16(18(2)3)8-5-9-16/h12-14H,5-11,17H2,1-4H3
InChIKeyZQUXBGQCZRMFSX-UHFFFAOYSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide
CID 105417547
4-amino-N-[3-(dimethylamino)propyl]-N,3-dimethylcyclohexane-1-carboxamide
CID 55227956
4-amino-N-(3-hydroxybutyl)-N,3-dimethylcyclohexane-1-carboxamide
CID 113499950
3-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 114949026
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methylcyclohexane-1-carboxamide
CID 105420547
4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide
CID 62781431
3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide
CID 62782994
4-amino-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclohexane-1-carboxamide
CID 62782532
4-amino-N-butyl-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 62781326
1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 105419749
3-amino-N-(2-hydroxypropyl)-N-methylcyclopentane-1-carboxamide
CID 66007556
4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114951146

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclohexane-1-carboxamide (CID 105420552) is 4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclohexane-1-carboxamide is CC1CC(C(=O)N(C)CC2(N(C)C)CCC2)CCC1N.
What is the InChIKey of 4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclohexane-1-carboxamide?
The InChIKey is ZQUXBGQCZRMFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12-10-13(6-7-14(12)17)15(20)19(4)11-16(18(2)3)8-5-9-16/h12-14H,5-11,17H2,1-4H3.
What are the key properties of 4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclohexane-1-carboxamide?
4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclohexane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 105420552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).