N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine

C13H27NS — CID 144865672

IUPACN-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCSCCC1CCC(N(C)C(C)C)CC1
InChIInChI=1S/C13H27NS/c1-11(2)14(3)13-7-5-12(6-8-13)9-10-15-4/h11-13H,5-10H2,1-4H3
InChIKeyKVMDYJXRCUMHLF-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.64
Rot. Bonds5

About N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine

N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine (PubChem CID 144865672) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine
PubChem CID144865672
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC NameN-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCSCCC1CCC(N(C)C(C)C)CC1
InChIInChI=1S/C13H27NS/c1-11(2)14(3)13-7-5-12(6-8-13)9-10-15-4/h11-13H,5-10H2,1-4H3
InChIKeyKVMDYJXRCUMHLF-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine (CID 144865672) is N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine is CSCCC1CCC(N(C)C(C)C)CC1.
What is the InChIKey of N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is KVMDYJXRCUMHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-11(2)14(3)13-7-5-12(6-8-13)9-10-15-4/h11-13H,5-10H2,1-4H3.
What are the key properties of N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine?
N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 229.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 144865672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).