(3-methylcyclohexyl)-(5-methylthiophen-3-yl)methanamine

C13H21NS — CID 65105141

IUPAC(3-methylcyclohexyl)-(5-methylthiophen-3-yl)methanamine
SMILESCc1cc(C(N)C2CCCC(C)C2)cs1
InChIInChI=1S/C13H21NS/c1-9-4-3-5-11(6-9)13(14)12-7-10(2)15-8-12/h7-9,11,13H,3-6,14H2,1-2H3
InChIKeySSDJMNIOYPJVTA-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.88
Rot. Bonds2

About (3-methylcyclohexyl)-(5-methylthiophen-3-yl)methanamine

(3-methylcyclohexyl)-(5-methylthiophen-3-yl)methanamine (PubChem CID 65105141) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is (3-methylcyclohexyl)-(5-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(3-methylcyclohexyl)-(5-methylthiophen-3-yl)methanamine
PubChem CID65105141
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name(3-methylcyclohexyl)-(5-methylthiophen-3-yl)methanamine
SMILESCc1cc(C(N)C2CCCC(C)C2)cs1
InChIInChI=1S/C13H21NS/c1-9-4-3-5-11(6-9)13(14)12-7-10(2)15-8-12/h7-9,11,13H,3-6,14H2,1-2H3
InChIKeySSDJMNIOYPJVTA-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine
CID 55185865
[cyclopentyl-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105204481
2-adamantyl-(5-methylthiophen-3-yl)methanamine
CID 104991334
2-cyclopropyl-1-(5-methylthiophen-3-yl)ethanamine
CID 55294440
(3-methylcyclohexyl)-(5-methylfuran-2-yl)methanamine
CID 104991972
(1,1-dioxothian-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 104991307
cyclohepten-1-yl-(3-methylcyclohexyl)methanamine
CID 106652734
(5-bromothiophen-3-yl)-cyclohexylmethanamine
CID 105079738
1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 65399489
(5-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanol
CID 65425858
(R)-cyclopropyl-(5-methoxythiophen-3-yl)methanamine
CID 130706323
(3-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methanamine
CID 79704869

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)-(5-methylthiophen-3-yl)methanamine?
The IUPAC name of (3-methylcyclohexyl)-(5-methylthiophen-3-yl)methanamine (CID 65105141) is (3-methylcyclohexyl)-(5-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (3-methylcyclohexyl)-(5-methylthiophen-3-yl)methanamine?
The canonical SMILES for (3-methylcyclohexyl)-(5-methylthiophen-3-yl)methanamine is Cc1cc(C(N)C2CCCC(C)C2)cs1.
What is the InChIKey of (3-methylcyclohexyl)-(5-methylthiophen-3-yl)methanamine?
The InChIKey is SSDJMNIOYPJVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-9-4-3-5-11(6-9)13(14)12-7-10(2)15-8-12/h7-9,11,13H,3-6,14H2,1-2H3.
What are the key properties of (3-methylcyclohexyl)-(5-methylthiophen-3-yl)methanamine?
(3-methylcyclohexyl)-(5-methylthiophen-3-yl)methanamine has a molecular weight of 223.38 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)-(5-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 65105141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).