2-[1-(5-ethylthiophen-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine

C17H29NS — CID 64765540

IUPAC2-[1-(5-ethylthiophen-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
SMILESCCc1ccc(CC(C)(C)C2CCC(C)CC2N)s1
InChIInChI=1S/C17H29NS/c1-5-13-7-8-14(19-13)11-17(3,4)15-9-6-12(2)10-16(15)18/h7-8,12,15-16H,5-6,9-11,18H2,1-4H3
InChIKeySOPYLCDVFYUOJU-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.64
Rot. Bonds4

About 2-[1-(5-ethylthiophen-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine

2-[1-(5-ethylthiophen-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine (PubChem CID 64765540) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 2-[1-(5-ethylthiophen-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[1-(5-ethylthiophen-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
PubChem CID64765540
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name2-[1-(5-ethylthiophen-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
SMILESCCc1ccc(CC(C)(C)C2CCC(C)CC2N)s1
InChIInChI=1S/C17H29NS/c1-5-13-7-8-14(19-13)11-17(3,4)15-9-6-12(2)10-16(15)18/h7-8,12,15-16H,5-6,9-11,18H2,1-4H3
InChIKeySOPYLCDVFYUOJU-UHFFFAOYSA-N
XLogP4.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 114934448
2-[1-(2-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64765003
2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64764440
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81033829
2-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64765538
2-[1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64765730
2-(2,4-dimethylhexan-2-yl)-5-methylcyclohexan-1-amine
CID 64765342
2-(1-cyclopentyl-2-methylpropan-2-yl)-5-methylcyclohexan-1-amine
CID 64765709
4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 55188245
2-[1-(5-bromo-2-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64765911
3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 64907667
2-(5-ethoxy-2-methylpentan-2-yl)-5-methylcyclohexan-1-amine
CID 65177960

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethylthiophen-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
The IUPAC name of 2-[1-(5-ethylthiophen-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine (CID 64765540) is 2-[1-(5-ethylthiophen-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[1-(5-ethylthiophen-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
The canonical SMILES for 2-[1-(5-ethylthiophen-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine is CCc1ccc(CC(C)(C)C2CCC(C)CC2N)s1.
What is the InChIKey of 2-[1-(5-ethylthiophen-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
The InChIKey is SOPYLCDVFYUOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-5-13-7-8-14(19-13)11-17(3,4)15-9-6-12(2)10-16(15)18/h7-8,12,15-16H,5-6,9-11,18H2,1-4H3.
What are the key properties of 2-[1-(5-ethylthiophen-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
2-[1-(5-ethylthiophen-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethylthiophen-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine is sourced from PubChem (CID 64765540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).