(3,5-dimethylcyclohexyl)-(5-ethylthiophen-2-yl)methanamine

C15H25NS — CID 104989005

IUPAC(3,5-dimethylcyclohexyl)-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)C2CC(C)CC(C)C2)s1
InChIInChI=1S/C15H25NS/c1-4-13-5-6-14(17-13)15(16)12-8-10(2)7-11(3)9-12/h5-6,10-12,15H,4,7-9,16H2,1-3H3
InChIKeyNLHZSPDUSOHIPZ-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.38
Rot. Bonds3

About (3,5-dimethylcyclohexyl)-(5-ethylthiophen-2-yl)methanamine

(3,5-dimethylcyclohexyl)-(5-ethylthiophen-2-yl)methanamine (PubChem CID 104989005) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(5-ethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(5-ethylthiophen-2-yl)methanamine
PubChem CID104989005
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name(3,5-dimethylcyclohexyl)-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)C2CC(C)CC(C)C2)s1
InChIInChI=1S/C15H25NS/c1-4-13-5-6-14(17-13)15(16)12-8-10(2)7-11(3)9-12/h5-6,10-12,15H,4,7-9,16H2,1-3H3
InChIKeyNLHZSPDUSOHIPZ-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3,5-dimethylcyclohexyl)-(5-ethylthiophen-2-yl)methanamine 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

cycloheptyl-(5-ethylthiophen-2-yl)methanamine
CID 62587234
(R)-cyclopentyl-(5-ethylthiophen-2-yl)methanamine;hydrochloride
CID 171211749
[(5-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313487
(5-ethylthiophen-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105018081
2-cyclohexyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 43103045
2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 114457478
2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171211735
1-(5-ethylthiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115713093
2-[chloro(cyclobutyl)methyl]-5-ethylthiophene
CID 61082733
N-[(5-ethylthiophen-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64731685
1-(5-ethylthiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107412059

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-(5-ethylthiophen-2-yl)methanamine?
The IUPAC name of (3,5-dimethylcyclohexyl)-(5-ethylthiophen-2-yl)methanamine (CID 104989005) is (3,5-dimethylcyclohexyl)-(5-ethylthiophen-2-yl)methanamine.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(5-ethylthiophen-2-yl)methanamine?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(5-ethylthiophen-2-yl)methanamine is CCc1ccc(C(N)C2CC(C)CC(C)C2)s1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(5-ethylthiophen-2-yl)methanamine?
The InChIKey is NLHZSPDUSOHIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-13-5-6-14(17-13)15(16)12-8-10(2)7-11(3)9-12/h5-6,10-12,15H,4,7-9,16H2,1-3H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(5-ethylthiophen-2-yl)methanamine?
(3,5-dimethylcyclohexyl)-(5-ethylthiophen-2-yl)methanamine has a molecular weight of 251.44 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-(5-ethylthiophen-2-yl)methanamine is sourced from PubChem (CID 104989005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).