N-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethylazepan-4-amine

C15H31N3 — CID 105415647

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethylazepan-4-amine
SMILESCCN1CCCC(NCC2(N(C)C)CCC2)CC1
InChIInChI=1S/C15H31N3/c1-4-18-11-5-7-14(8-12-18)16-13-15(17(2)3)9-6-10-15/h14,16H,4-13H2,1-3H3
InChIKeyYEBSZRNJFFNFKI-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.93
Rot. Bonds5

About N-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethylazepan-4-amine

N-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethylazepan-4-amine (PubChem CID 105415647) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethylazepan-4-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethylazepan-4-amine
PubChem CID105415647
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethylazepan-4-amine
SMILESCCN1CCCC(NCC2(N(C)C)CCC2)CC1
InChIInChI=1S/C15H31N3/c1-4-18-11-5-7-14(8-12-18)16-13-15(17(2)3)9-6-10-15/h14,16H,4-13H2,1-3H3
InChIKeyYEBSZRNJFFNFKI-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethylazepan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylazepan-4-amine
CID 65072853
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylpiperidin-3-amine
CID 50984370
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-propan-2-ylazepan-4-amine
CID 105414514
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-prop-2-ynylpiperidin-4-amine
CID 43766456
N-[[1-(dimethylamino)cyclopentyl]methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 81296817
2-(1-ethylazepan-4-yl)-1,1-dimethylhydrazine
CID 83005446
N-[[1-(dimethylamino)cyclopentyl]methyl]-1,2-dimethylpiperidin-4-amine
CID 81302342
1-[[(1-ethylazepan-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65115830
1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine
CID 106899503
N-(cyclopentylmethyl)-1-ethylazepan-4-amine
CID 65074491
2-[(1-ethylazepan-4-yl)amino]ethanol
CID 65074439
N-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine
CID 83116241

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethylazepan-4-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethylazepan-4-amine (CID 105415647) is N-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethylazepan-4-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethylazepan-4-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethylazepan-4-amine is CCN1CCCC(NCC2(N(C)C)CCC2)CC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethylazepan-4-amine?
The InChIKey is YEBSZRNJFFNFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-18-11-5-7-14(8-12-18)16-13-15(17(2)3)9-6-10-15/h14,16H,4-13H2,1-3H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethylazepan-4-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethylazepan-4-amine has a molecular weight of 253.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethylazepan-4-amine is sourced from PubChem (CID 105415647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).