1-propyl-N-thiophen-3-ylazepan-4-amine

C13H22N2S — CID 66351874

IUPAC1-propyl-N-thiophen-3-ylazepan-4-amine
SMILESCCCN1CCCC(Nc2ccsc2)CC1
InChIInChI=1S/C13H22N2S/c1-2-7-15-8-3-4-12(5-9-15)14-13-6-10-16-11-13/h6,10-12,14H,2-5,7-9H2,1H3
InChIKeyOSZFBQAOOXEUQN-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.42
Rot. Bonds4

About 1-propyl-N-thiophen-3-ylazepan-4-amine

1-propyl-N-thiophen-3-ylazepan-4-amine (PubChem CID 66351874) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-propyl-N-thiophen-3-ylazepan-4-amine.

Molecular Properties

Compound Name1-propyl-N-thiophen-3-ylazepan-4-amine
PubChem CID66351874
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-propyl-N-thiophen-3-ylazepan-4-amine
SMILESCCCN1CCCC(Nc2ccsc2)CC1
InChIInChI=1S/C13H22N2S/c1-2-7-15-8-3-4-12(5-9-15)14-13-6-10-16-11-13/h6,10-12,14H,2-5,7-9H2,1H3
InChIKeyOSZFBQAOOXEUQN-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-N-thiophen-3-ylpiperidin-4-amine
CID 66352075
N-(3,5-dimethylphenyl)-1-propylazepan-4-amine
CID 65073149
1-(3-methylbut-2-enyl)-N-thiophen-3-ylpiperidin-4-amine
CID 66350332
N-(2,3-dihydro-1H-inden-5-yl)-1-propylazepan-4-amine
CID 65072735
N-(4-methylsulfonylphenyl)-1-propylazepan-4-amine
CID 65072534
N-thiophen-3-yl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 66352549
N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine
CID 65072540
N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine
CID 104775951
N-(3-ethynylphenyl)-1-propylazepan-4-amine
CID 65073177
5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
CID 65072952
N-methyl-1-propylazepan-4-amine
CID 65072873
N-(1-propylazepan-4-yl)quinolin-3-amine
CID 65074656

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-thiophen-3-ylazepan-4-amine?
The IUPAC name of 1-propyl-N-thiophen-3-ylazepan-4-amine (CID 66351874) is 1-propyl-N-thiophen-3-ylazepan-4-amine.
What is the SMILES notation for 1-propyl-N-thiophen-3-ylazepan-4-amine?
The canonical SMILES for 1-propyl-N-thiophen-3-ylazepan-4-amine is CCCN1CCCC(Nc2ccsc2)CC1.
What is the InChIKey of 1-propyl-N-thiophen-3-ylazepan-4-amine?
The InChIKey is OSZFBQAOOXEUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-2-7-15-8-3-4-12(5-9-15)14-13-6-10-16-11-13/h6,10-12,14H,2-5,7-9H2,1H3.
What are the key properties of 1-propyl-N-thiophen-3-ylazepan-4-amine?
1-propyl-N-thiophen-3-ylazepan-4-amine has a molecular weight of 238.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-thiophen-3-ylazepan-4-amine is sourced from PubChem (CID 66351874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).