1-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine

C15H24ClNS — CID 107430135

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(N)(Cc2ccc(Cl)s2)C1
InChIInChI=1S/C15H24ClNS/c1-11(2)8-12-4-3-7-15(17,9-12)10-13-5-6-14(16)18-13/h5-6,11-12H,3-4,7-10,17H2,1-2H3
InChIKeyNYQHTTHXVFMYID-UHFFFAOYSA-N
MW285.88 g/mol
LogP4.88
Rot. Bonds4

About 1-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine

1-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107430135) has the molecular formula C15H24ClNS and a molecular weight of 285.88 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107430135
Molecular FormulaC15H24ClNS
Molecular Weight285.88 g/mol
Exact Mass285.13
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(N)(Cc2ccc(Cl)s2)C1
InChIInChI=1S/C15H24ClNS/c1-11(2)8-12-4-3-7-15(17,9-12)10-13-5-6-14(16)18-13/h5-6,11-12H,3-4,7-10,17H2,1-2H3
InChIKeyNYQHTTHXVFMYID-UHFFFAOYSA-N
XLogP4.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.88
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-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-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 55186774
3-(2-methylpropyl)-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 107430055
1-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107430001
1-[(2-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107430063
1-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429940
1-[(3,5-difluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107430049
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107430142
4-[(5-chlorothiophen-2-yl)methyl]oxepan-4-amine
CID 65076621
3-(2-methylpropyl)-1-(3-phenylpropyl)cyclohexan-1-amine
CID 107430007
3-[(5-chlorothiophen-2-yl)methyl]-2-methyloxolan-3-amine
CID 114535508
1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429754
1-[1-amino-2-(5-chlorothiophen-2-yl)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074614

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine (CID 107430135) is 1-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine is CC(C)CC1CCCC(N)(Cc2ccc(Cl)s2)C1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is NYQHTTHXVFMYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNS/c1-11(2)8-12-4-3-7-15(17,9-12)10-13-5-6-14(16)18-13/h5-6,11-12H,3-4,7-10,17H2,1-2H3.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
1-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 285.88 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107430135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).