N-[[1-(dimethylamino)cyclobutyl]methyl]-1-propan-2-ylazepan-4-amine

C16H33N3 — CID 105414514

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(NCC2(N(C)C)CCC2)CC1
InChIInChI=1S/C16H33N3/c1-14(2)19-11-5-7-15(8-12-19)17-13-16(18(3)4)9-6-10-16/h14-15,17H,5-13H2,1-4H3
InChIKeyGWSFJQUTQMHASW-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.32
Rot. Bonds5

About N-[[1-(dimethylamino)cyclobutyl]methyl]-1-propan-2-ylazepan-4-amine

N-[[1-(dimethylamino)cyclobutyl]methyl]-1-propan-2-ylazepan-4-amine (PubChem CID 105414514) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-1-propan-2-ylazepan-4-amine
PubChem CID105414514
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(NCC2(N(C)C)CCC2)CC1
InChIInChI=1S/C16H33N3/c1-14(2)19-11-5-7-15(8-12-19)17-13-16(18(3)4)9-6-10-16/h14-15,17H,5-13H2,1-4H3
InChIKeyGWSFJQUTQMHASW-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethylazepan-4-amine
CID 105415647
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylazepan-4-amine
CID 65072853
N-[[1-(dimethylamino)cyclopentyl]methyl]-1,2-dimethylpiperidin-4-amine
CID 81302342
2-[(1-propan-2-ylazepan-4-yl)amino]ethanol
CID 65074438
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylpiperidin-3-amine
CID 50984370
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-prop-2-ynylpiperidin-4-amine
CID 43766456
N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine
CID 65073948
N-[[1-(dimethylamino)cyclopentyl]methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 81296817
N-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine
CID 83116241
2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol
CID 65103038
N-[[1-(dimethylamino)cyclopentyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 83108296
N-octyl-1-propan-2-ylazepan-4-amine
CID 115566933

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-1-propan-2-ylazepan-4-amine (CID 105414514) is N-[[1-(dimethylamino)cyclobutyl]methyl]-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-1-propan-2-ylazepan-4-amine is CC(C)N1CCCC(NCC2(N(C)C)CCC2)CC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-1-propan-2-ylazepan-4-amine?
The InChIKey is GWSFJQUTQMHASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-14(2)19-11-5-7-15(8-12-19)17-13-16(18(3)4)9-6-10-16/h14-15,17H,5-13H2,1-4H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-1-propan-2-ylazepan-4-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-propan-2-ylazepan-4-amine has a molecular weight of 267.46 g/mol, XLogP of 2.32, 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-propan-2-ylazepan-4-amine is sourced from PubChem (CID 105414514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).