4-propyl-1-thiophen-3-ylcycloheptan-1-amine

C14H23NS — CID 65100099

IUPAC4-propyl-1-thiophen-3-ylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(c2ccsc2)CC1
InChIInChI=1S/C14H23NS/c1-2-4-12-5-3-8-14(15,9-6-12)13-7-10-16-11-13/h7,10-12H,2-6,8-9,15H2,1H3
InChIKeyOGYPBVRNWKTRPO-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.28
Rot. Bonds3

About 4-propyl-1-thiophen-3-ylcycloheptan-1-amine

4-propyl-1-thiophen-3-ylcycloheptan-1-amine (PubChem CID 65100099) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 4-propyl-1-thiophen-3-ylcycloheptan-1-amine.

Molecular Properties

Compound Name4-propyl-1-thiophen-3-ylcycloheptan-1-amine
PubChem CID65100099
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name4-propyl-1-thiophen-3-ylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(c2ccsc2)CC1
InChIInChI=1S/C14H23NS/c1-2-4-12-5-3-8-14(15,9-6-12)13-7-10-16-11-13/h7,10-12H,2-6,8-9,15H2,1H3
InChIKeyOGYPBVRNWKTRPO-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-propyl-1-thiophen-3-ylcycloheptan-1-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

1-naphthalen-2-yl-4-propylcycloheptan-1-amine
CID 65086646
1-(1-methylpyrazol-4-yl)-4-propylcycloheptan-1-amine
CID 65086253
1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine
CID 54919370
1-(3,4-dimethylphenyl)-4-propylcyclohexan-1-amine
CID 55187144
1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine
CID 65086410
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propylcycloheptan-1-amine
CID 65088642
4-ethyl-1-thiophen-3-ylcycloheptan-1-ol
CID 65099566
1-(6-methyl-3-pyridinyl)-4-propylcyclohexan-1-amine
CID 63156082
1-(2-chloro-5-fluorophenyl)-4-propylcycloheptan-1-amine
CID 105394136
4-propyl-1-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 65086743
1-(4-bromo-3-chloro-2-fluorophenyl)-4-propylcycloheptan-1-amine
CID 106761658
ethane;1-phenyl-4-(2-phenylethyl)cycloheptan-1-amine
CID 143883025

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-thiophen-3-ylcycloheptan-1-amine?
The IUPAC name of 4-propyl-1-thiophen-3-ylcycloheptan-1-amine (CID 65100099) is 4-propyl-1-thiophen-3-ylcycloheptan-1-amine.
What is the SMILES notation for 4-propyl-1-thiophen-3-ylcycloheptan-1-amine?
The canonical SMILES for 4-propyl-1-thiophen-3-ylcycloheptan-1-amine is CCCC1CCCC(N)(c2ccsc2)CC1.
What is the InChIKey of 4-propyl-1-thiophen-3-ylcycloheptan-1-amine?
The InChIKey is OGYPBVRNWKTRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-2-4-12-5-3-8-14(15,9-6-12)13-7-10-16-11-13/h7,10-12H,2-6,8-9,15H2,1H3.
What are the key properties of 4-propyl-1-thiophen-3-ylcycloheptan-1-amine?
4-propyl-1-thiophen-3-ylcycloheptan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-thiophen-3-ylcycloheptan-1-amine is sourced from PubChem (CID 65100099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).