N-methyl-4-(2-methylbutan-2-yl)-2-(2-methylbutylsulfanyl)cyclohexan-1-amine

C17H35NS — CID 107763602

IUPACN-methyl-4-(2-methylbutan-2-yl)-2-(2-methylbutylsulfanyl)cyclohexan-1-amine
SMILESCCC(C)CSC1CC(C(C)(C)CC)CCC1NC
InChIInChI=1S/C17H35NS/c1-7-13(3)12-19-16-11-14(17(4,5)8-2)9-10-15(16)18-6/h13-16,18H,7-12H2,1-6H3
InChIKeyHIWPEVLATQJLIW-UHFFFAOYSA-N
MW285.54 g/mol
LogP4.96
Rot. Bonds7

About N-methyl-4-(2-methylbutan-2-yl)-2-(2-methylbutylsulfanyl)cyclohexan-1-amine

N-methyl-4-(2-methylbutan-2-yl)-2-(2-methylbutylsulfanyl)cyclohexan-1-amine (PubChem CID 107763602) has the molecular formula C17H35NS and a molecular weight of 285.54 g/mol. Its IUPAC name is N-methyl-4-(2-methylbutan-2-yl)-2-(2-methylbutylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methylbutan-2-yl)-2-(2-methylbutylsulfanyl)cyclohexan-1-amine
PubChem CID107763602
Molecular FormulaC17H35NS
Molecular Weight285.54 g/mol
Exact Mass285.25
IUPAC NameN-methyl-4-(2-methylbutan-2-yl)-2-(2-methylbutylsulfanyl)cyclohexan-1-amine
SMILESCCC(C)CSC1CC(C(C)(C)CC)CCC1NC
InChIInChI=1S/C17H35NS/c1-7-13(3)12-19-16-11-14(17(4,5)8-2)9-10-15(16)18-6/h13-16,18H,7-12H2,1-6H3
InChIKeyHIWPEVLATQJLIW-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.54
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]sulfanylpropan-1-ol
CID 66126855
2-(2-bromophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 64614545
N-methyl-4-(2-methylbutan-2-yl)-2-thiophen-2-ylsulfanylcyclohexan-1-amine
CID 64612754
[2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]methanol
CID 64814908
N-methyl-4-(2-methylbutan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-amine
CID 64648110
2-(3-chlorophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 64632525
4-tert-butyl-2-(2-methylpropylsulfanyl)-N-propylcyclohexan-1-amine
CID 64611522
4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine
CID 64625882
2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine
CID 64613470
4-(2-methylbutan-2-yl)-2-methylsulfanylcyclohexan-1-amine
CID 64628286
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 63956178
2-N-butyl-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 63466038

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylbutan-2-yl)-2-(2-methylbutylsulfanyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-4-(2-methylbutan-2-yl)-2-(2-methylbutylsulfanyl)cyclohexan-1-amine (CID 107763602) is N-methyl-4-(2-methylbutan-2-yl)-2-(2-methylbutylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-(2-methylbutan-2-yl)-2-(2-methylbutylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-(2-methylbutan-2-yl)-2-(2-methylbutylsulfanyl)cyclohexan-1-amine is CCC(C)CSC1CC(C(C)(C)CC)CCC1NC.
What is the InChIKey of N-methyl-4-(2-methylbutan-2-yl)-2-(2-methylbutylsulfanyl)cyclohexan-1-amine?
The InChIKey is HIWPEVLATQJLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NS/c1-7-13(3)12-19-16-11-14(17(4,5)8-2)9-10-15(16)18-6/h13-16,18H,7-12H2,1-6H3.
What are the key properties of N-methyl-4-(2-methylbutan-2-yl)-2-(2-methylbutylsulfanyl)cyclohexan-1-amine?
N-methyl-4-(2-methylbutan-2-yl)-2-(2-methylbutylsulfanyl)cyclohexan-1-amine has a molecular weight of 285.54 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylbutan-2-yl)-2-(2-methylbutylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 107763602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).