2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide

C16H31N3O — CID 105417547

IUPAC2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)C1CCCCCC1N
InChIInChI=1S/C16H31N3O/c1-18(2)16(10-7-11-16)12-19(3)15(20)13-8-5-4-6-9-14(13)17/h13-14H,4-12,17H2,1-3H3
InChIKeyOIMJDUBOZKBWNT-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.84
Rot. Bonds4

About 2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide

2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide (PubChem CID 105417547) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide
PubChem CID105417547
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)C1CCCCCC1N
InChIInChI=1S/C16H31N3O/c1-18(2)16(10-7-11-16)12-19(3)15(20)13-8-5-4-6-9-14(13)17/h13-14H,4-12,17H2,1-3H3
InChIKeyOIMJDUBOZKBWNT-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide
CID 97051119
4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclohexane-1-carboxamide
CID 105420552
2-amino-N-(cyclohexylmethyl)-N-methylcyclopentane-1-carboxamide
CID 64822627
2-amino-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 62777186
2-amino-N,N-dimethylcyclopentane-1-carboxamide
CID 59215971
2-amino-N-(2,2-difluoroethyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119752873
1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 105419749
2-amino-N-ethyl-N-propylcyclohexane-1-carboxamide
CID 62777516
2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62776844
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-piperidin-2-ylacetamide
CID 105418352
4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid
CID 64823823
2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 64822535

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide?
The IUPAC name of 2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide (CID 105417547) is 2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide?
The canonical SMILES for 2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide is CN(CC1(N(C)C)CCC1)C(=O)C1CCCCCC1N.
What is the InChIKey of 2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide?
The InChIKey is OIMJDUBOZKBWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-18(2)16(10-7-11-16)12-19(3)15(20)13-8-5-4-6-9-14(13)17/h13-14H,4-12,17H2,1-3H3.
What are the key properties of 2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide?
2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide is sourced from PubChem (CID 105417547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).