[2-(2-methylpropylsulfanyl)-4-propylcyclohexyl]methanamine

C14H29NS — CID 43529824

IUPAC[2-(2-methylpropylsulfanyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(SCC(C)C)C1
InChIInChI=1S/C14H29NS/c1-4-5-12-6-7-13(9-15)14(8-12)16-10-11(2)3/h11-14H,4-10,15H2,1-3H3
InChIKeyLWCMJFKGSCORFV-UHFFFAOYSA-N
MW243.46 g/mol
LogP3.92
Rot. Bonds6

About [2-(2-methylpropylsulfanyl)-4-propylcyclohexyl]methanamine

[2-(2-methylpropylsulfanyl)-4-propylcyclohexyl]methanamine (PubChem CID 43529824) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is [2-(2-methylpropylsulfanyl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-methylpropylsulfanyl)-4-propylcyclohexyl]methanamine
PubChem CID43529824
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC Name[2-(2-methylpropylsulfanyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(SCC(C)C)C1
InChIInChI=1S/C14H29NS/c1-4-5-12-6-7-13(9-15)14(8-12)16-10-11(2)3/h11-14H,4-10,15H2,1-3H3
InChIKeyLWCMJFKGSCORFV-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylsulfanyl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(2-methylpropylsulfanyl)-4-propylcyclohexyl]methanamine (CID 43529824) is [2-(2-methylpropylsulfanyl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2-methylpropylsulfanyl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(2-methylpropylsulfanyl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(SCC(C)C)C1.
What is the InChIKey of [2-(2-methylpropylsulfanyl)-4-propylcyclohexyl]methanamine?
The InChIKey is LWCMJFKGSCORFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-4-5-12-6-7-13(9-15)14(8-12)16-10-11(2)3/h11-14H,4-10,15H2,1-3H3.
What are the key properties of [2-(2-methylpropylsulfanyl)-4-propylcyclohexyl]methanamine?
[2-(2-methylpropylsulfanyl)-4-propylcyclohexyl]methanamine has a molecular weight of 243.46 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylsulfanyl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 43529824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).