1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine

C15H26N2S — CID 81398218

IUPAC1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine
SMILESCCCN1CCCC(N[C@@H](C)c2cccs2)CC1
InChIInChI=1S/C15H26N2S/c1-3-9-17-10-4-6-14(8-11-17)16-13(2)15-7-5-12-18-15/h5,7,12-14,16H,3-4,6,8-11H2,1-2H3/t13-,14?/m0/s1
InChIKeyWLBCWPITORSDRZ-LSLKUGRBSA-N
MW266.45 g/mol
LogP3.66
Rot. Bonds5

About 1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine

1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine (PubChem CID 81398218) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine.

Molecular Properties

Compound Name1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine
PubChem CID81398218
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine
SMILESCCCN1CCCC(N[C@@H](C)c2cccs2)CC1
InChIInChI=1S/C15H26N2S/c1-3-9-17-10-4-6-14(8-11-17)16-13(2)15-7-5-12-18-15/h5,7,12-14,16H,3-4,6,8-11H2,1-2H3/t13-,14?/m0/s1
InChIKeyWLBCWPITORSDRZ-LSLKUGRBSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-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-phenylethyl)-1-propylazepan-4-amine
CID 65072569
1-(2-methylpropyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 103775855
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
1-propan-2-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43182947
2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43722952
1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-3-amine
CID 43150704
N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206682
cis-(1R,2S)-2-[4-[[(1S)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]cyclohexan-1-ol
CID 129432736
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine
CID 65074018
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1-propylazepan-4-amine
CID 65078736
1-pyridin-4-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43343794
N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine
CID 28717671

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine?
The IUPAC name of 1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine (CID 81398218) is 1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine.
What is the SMILES notation for 1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine?
The canonical SMILES for 1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine is CCCN1CCCC(N[C@@H](C)c2cccs2)CC1.
What is the InChIKey of 1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine?
The InChIKey is WLBCWPITORSDRZ-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H26N2S/c1-3-9-17-10-4-6-14(8-11-17)16-13(2)15-7-5-12-18-15/h5,7,12-14,16H,3-4,6,8-11H2,1-2H3/t13-,14?/m0/s1.
What are the key properties of 1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine?
1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine has a molecular weight of 266.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine is sourced from PubChem (CID 81398218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).