3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine

C16H27NS — CID 64745439

IUPAC3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine
SMILESCc1ccc(CC(C)NC2CCC(C)C(C)C2)s1
InChIInChI=1S/C16H27NS/c1-11-5-7-15(9-12(11)2)17-13(3)10-16-8-6-14(4)18-16/h6,8,11-13,15,17H,5,7,9-10H2,1-4H3
InChIKeyWOZQTJQIRVCDEC-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.40
Rot. Bonds4

About 3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine

3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine (PubChem CID 64745439) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine
PubChem CID64745439
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine
SMILESCc1ccc(CC(C)NC2CCC(C)C(C)C2)s1
InChIInChI=1S/C16H27NS/c1-11-5-7-15(9-12(11)2)17-13(3)10-16-8-6-14(4)18-16/h6,8,11-13,15,17H,5,7,9-10H2,1-4H3
InChIKeyWOZQTJQIRVCDEC-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]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

N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopropanamine
CID 103439266
4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine
CID 79741971
3,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 64744447
1-cyclopropyl-5-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrolidin-3-amine
CID 115722163
1-(2-methylpropyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidin-4-amine
CID 103784638
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-4-propylcycloheptan-1-amine
CID 65091722
1-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]azepan-4-amine
CID 65078689
N-[1-(5-bromothiophen-2-yl)propan-2-yl]cyclopropanamine
CID 82484308
N-[(5-methyloxolan-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
CID 82835174
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1-propylazepan-4-amine
CID 65078736
2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopentan-1-amine
CID 79856875
1-(5-methylthiophen-2-yl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106633990

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine (CID 64745439) is 3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine is Cc1ccc(CC(C)NC2CCC(C)C(C)C2)s1.
What is the InChIKey of 3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine?
The InChIKey is WOZQTJQIRVCDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-11-5-7-15(9-12(11)2)17-13(3)10-16-8-6-14(4)18-16/h6,8,11-13,15,17H,5,7,9-10H2,1-4H3.
What are the key properties of 3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine?
3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 64745439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).