4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine

C17H29NS — CID 43224675

IUPAC4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCc2ccc(C)s2)CC1
InChIInChI=1S/C17H29NS/c1-5-17(3,4)14-7-9-15(10-8-14)18-12-16-11-6-13(2)19-16/h6,11,14-15,18H,5,7-10,12H2,1-4H3
InChIKeyWJLLPTXDPHIHHO-UHFFFAOYSA-N
MW279.49 g/mol
LogP5.14
Rot. Bonds5

About 4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine

4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine (PubChem CID 43224675) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
PubChem CID43224675
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCc2ccc(C)s2)CC1
InChIInChI=1S/C17H29NS/c1-5-17(3,4)14-7-9-15(10-8-14)18-12-16-11-6-13(2)19-16/h6,11,14-15,18H,5,7-10,12H2,1-4H3
InChIKeyWJLLPTXDPHIHHO-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.49
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine (CID 43224675) is 4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine is CCC(C)(C)C1CCC(NCc2ccc(C)s2)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is WJLLPTXDPHIHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-5-17(3,4)14-7-9-15(10-8-14)18-12-16-11-6-13(2)19-16/h6,11,14-15,18H,5,7-10,12H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 43224675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).