(2-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanamine

C15H25NS — CID 102832815

IUPAC(2-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanamine
SMILESCc1sccc1C(N)C1CCC(C(C)C)CC1
InChIInChI=1S/C15H25NS/c1-10(2)12-4-6-13(7-5-12)15(16)14-8-9-17-11(14)3/h8-10,12-13,15H,4-7,16H2,1-3H3
InChIKeyJLERRNFHWQPBLW-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.52
Rot. Bonds3

About (2-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanamine

(2-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanamine (PubChem CID 102832815) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanamine
PubChem CID102832815
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name(2-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanamine
SMILESCc1sccc1C(N)C1CCC(C(C)C)CC1
InChIInChI=1S/C15H25NS/c1-10(2)12-4-6-13(7-5-12)15(16)14-8-9-17-11(14)3/h8-10,12-13,15H,4-7,16H2,1-3H3
InChIKeyJLERRNFHWQPBLW-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 102832882
(4-propan-2-ylcyclohexyl)-thiophen-2-ylmethanamine
CID 65423602
[3-[(S)-amino(cyclopropyl)methyl]thiophen-2-yl]methanol
CID 55292192
(4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65424560
2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102841282
(3-ethyl-1,4-dithian-2-yl)-(2-methylthiophen-3-yl)methanamine
CID 102833588
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601
1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine
CID 102842113
(3-methylcyclopentyl)-(2-methylthiophen-3-yl)methanol
CID 102831364
(2-cyclobutylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 114603457
4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol
CID 116941904
4-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102841429

Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanamine?
The IUPAC name of (2-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanamine (CID 102832815) is (2-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanamine.
What is the SMILES notation for (2-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanamine?
The canonical SMILES for (2-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanamine is Cc1sccc1C(N)C1CCC(C(C)C)CC1.
What is the InChIKey of (2-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanamine?
The InChIKey is JLERRNFHWQPBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-10(2)12-4-6-13(7-5-12)15(16)14-8-9-17-11(14)3/h8-10,12-13,15H,4-7,16H2,1-3H3.
What are the key properties of (2-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanamine?
(2-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanamine has a molecular weight of 251.44 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanamine is sourced from PubChem (CID 102832815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).