N-methyl-N-[(E)-3-methyl-4-methylidene-6-methylsulfanylhex-2-en-2-yl]cyclohexanamine

C16H29NS — CID 138502103

IUPACN-methyl-N-[(E)-3-methyl-4-methylidene-6-methylsulfanylhex-2-en-2-yl]cyclohexanamine
SMILESC=C(CCSC)/C(C)=C(\C)N(C)C1CCCCC1
InChIInChI=1S/C16H29NS/c1-13(11-12-18-5)14(2)15(3)17(4)16-9-7-6-8-10-16/h16H,1,6-12H2,2-5H3/b15-14+
InChIKeyUGEOPHAFAMYAHV-CCEZHUSRSA-N
MW267.48 g/mol
LogP4.85
Rot. Bonds6

About N-methyl-N-[(E)-3-methyl-4-methylidene-6-methylsulfanylhex-2-en-2-yl]cyclohexanamine

N-methyl-N-[(E)-3-methyl-4-methylidene-6-methylsulfanylhex-2-en-2-yl]cyclohexanamine (PubChem CID 138502103) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is N-methyl-N-[(E)-3-methyl-4-methylidene-6-methylsulfanylhex-2-en-2-yl]cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-3-methyl-4-methylidene-6-methylsulfanylhex-2-en-2-yl]cyclohexanamine
PubChem CID138502103
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC NameN-methyl-N-[(E)-3-methyl-4-methylidene-6-methylsulfanylhex-2-en-2-yl]cyclohexanamine
SMILESC=C(CCSC)/C(C)=C(\C)N(C)C1CCCCC1
InChIInChI=1S/C16H29NS/c1-13(11-12-18-5)14(2)15(3)17(4)16-9-7-6-8-10-16/h16H,1,6-12H2,2-5H3/b15-14+
InChIKeyUGEOPHAFAMYAHV-CCEZHUSRSA-N
XLogP4.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.48
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-3-methyl-4-methylidene-6-methylsulfanylhex-2-en-2-yl]cyclohexanamine?
The IUPAC name of N-methyl-N-[(E)-3-methyl-4-methylidene-6-methylsulfanylhex-2-en-2-yl]cyclohexanamine (CID 138502103) is N-methyl-N-[(E)-3-methyl-4-methylidene-6-methylsulfanylhex-2-en-2-yl]cyclohexanamine.
What is the SMILES notation for N-methyl-N-[(E)-3-methyl-4-methylidene-6-methylsulfanylhex-2-en-2-yl]cyclohexanamine?
The canonical SMILES for N-methyl-N-[(E)-3-methyl-4-methylidene-6-methylsulfanylhex-2-en-2-yl]cyclohexanamine is C=C(CCSC)/C(C)=C(\C)N(C)C1CCCCC1.
What is the InChIKey of N-methyl-N-[(E)-3-methyl-4-methylidene-6-methylsulfanylhex-2-en-2-yl]cyclohexanamine?
The InChIKey is UGEOPHAFAMYAHV-CCEZHUSRSA-N. The full InChI is InChI=1S/C16H29NS/c1-13(11-12-18-5)14(2)15(3)17(4)16-9-7-6-8-10-16/h16H,1,6-12H2,2-5H3/b15-14+.
What are the key properties of N-methyl-N-[(E)-3-methyl-4-methylidene-6-methylsulfanylhex-2-en-2-yl]cyclohexanamine?
N-methyl-N-[(E)-3-methyl-4-methylidene-6-methylsulfanylhex-2-en-2-yl]cyclohexanamine has a molecular weight of 267.48 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-3-methyl-4-methylidene-6-methylsulfanylhex-2-en-2-yl]cyclohexanamine is sourced from PubChem (CID 138502103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).