4-cyclohexyl-N-methyl-3-methylsulfanylbut-1-en-2-amine

C12H23NS — CID 146327139

IUPAC4-cyclohexyl-N-methyl-3-methylsulfanylbut-1-en-2-amine
SMILESC=C(NC)C(CC1CCCCC1)SC
InChIInChI=1S/C12H23NS/c1-10(13-2)12(14-3)9-11-7-5-4-6-8-11/h11-13H,1,4-9H2,2-3H3
InChIKeyXANMKMZLWFNICJ-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.42
Rot. Bonds5

About 4-cyclohexyl-N-methyl-3-methylsulfanylbut-1-en-2-amine

4-cyclohexyl-N-methyl-3-methylsulfanylbut-1-en-2-amine (PubChem CID 146327139) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 4-cyclohexyl-N-methyl-3-methylsulfanylbut-1-en-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-N-methyl-3-methylsulfanylbut-1-en-2-amine
PubChem CID146327139
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name4-cyclohexyl-N-methyl-3-methylsulfanylbut-1-en-2-amine
SMILESC=C(NC)C(CC1CCCCC1)SC
InChIInChI=1S/C12H23NS/c1-10(13-2)12(14-3)9-11-7-5-4-6-8-11/h11-13H,1,4-9H2,2-3H3
InChIKeyXANMKMZLWFNICJ-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-methyl-3-methylsulfanylbut-1-en-2-amine?
The IUPAC name of 4-cyclohexyl-N-methyl-3-methylsulfanylbut-1-en-2-amine (CID 146327139) is 4-cyclohexyl-N-methyl-3-methylsulfanylbut-1-en-2-amine.
What is the SMILES notation for 4-cyclohexyl-N-methyl-3-methylsulfanylbut-1-en-2-amine?
The canonical SMILES for 4-cyclohexyl-N-methyl-3-methylsulfanylbut-1-en-2-amine is C=C(NC)C(CC1CCCCC1)SC.
What is the InChIKey of 4-cyclohexyl-N-methyl-3-methylsulfanylbut-1-en-2-amine?
The InChIKey is XANMKMZLWFNICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-10(13-2)12(14-3)9-11-7-5-4-6-8-11/h11-13H,1,4-9H2,2-3H3.
What are the key properties of 4-cyclohexyl-N-methyl-3-methylsulfanylbut-1-en-2-amine?
4-cyclohexyl-N-methyl-3-methylsulfanylbut-1-en-2-amine has a molecular weight of 213.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-methyl-3-methylsulfanylbut-1-en-2-amine is sourced from PubChem (CID 146327139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).