(E)-N,2-dimethyl-3-[(E)-2-methylbut-1-enyl]sulfanylprop-2-en-1-amine

C10H19NS — CID 170038534

IUPAC(E)-N,2-dimethyl-3-[(E)-2-methylbut-1-enyl]sulfanylprop-2-en-1-amine
SMILESCC/C(C)=C/S/C=C(\C)CNC
InChIInChI=1S/C10H19NS/c1-5-9(2)7-12-8-10(3)6-11-4/h7-8,11H,5-6H2,1-4H3/b9-7+,10-8+
InChIKeyMJKNWWLBYKRKAO-FIFLTTCUSA-N
MW185.34 g/mol
LogP3.16
Rot. Bonds5

About (E)-N,2-dimethyl-3-[(E)-2-methylbut-1-enyl]sulfanylprop-2-en-1-amine

(E)-N,2-dimethyl-3-[(E)-2-methylbut-1-enyl]sulfanylprop-2-en-1-amine (PubChem CID 170038534) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is (E)-N,2-dimethyl-3-[(E)-2-methylbut-1-enyl]sulfanylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,2-dimethyl-3-[(E)-2-methylbut-1-enyl]sulfanylprop-2-en-1-amine
PubChem CID170038534
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(E)-N,2-dimethyl-3-[(E)-2-methylbut-1-enyl]sulfanylprop-2-en-1-amine
SMILESCC/C(C)=C/S/C=C(\C)CNC
InChIInChI=1S/C10H19NS/c1-5-9(2)7-12-8-10(3)6-11-4/h7-8,11H,5-6H2,1-4H3/b9-7+,10-8+
InChIKeyMJKNWWLBYKRKAO-FIFLTTCUSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N,2-dimethyl-3-[(E)-2-methylbut-1-enyl]sulfanylprop-2-en-1-amine?
The IUPAC name of (E)-N,2-dimethyl-3-[(E)-2-methylbut-1-enyl]sulfanylprop-2-en-1-amine (CID 170038534) is (E)-N,2-dimethyl-3-[(E)-2-methylbut-1-enyl]sulfanylprop-2-en-1-amine.
What is the SMILES notation for (E)-N,2-dimethyl-3-[(E)-2-methylbut-1-enyl]sulfanylprop-2-en-1-amine?
The canonical SMILES for (E)-N,2-dimethyl-3-[(E)-2-methylbut-1-enyl]sulfanylprop-2-en-1-amine is CC/C(C)=C/S/C=C(\C)CNC.
What is the InChIKey of (E)-N,2-dimethyl-3-[(E)-2-methylbut-1-enyl]sulfanylprop-2-en-1-amine?
The InChIKey is MJKNWWLBYKRKAO-FIFLTTCUSA-N. The full InChI is InChI=1S/C10H19NS/c1-5-9(2)7-12-8-10(3)6-11-4/h7-8,11H,5-6H2,1-4H3/b9-7+,10-8+.
What are the key properties of (E)-N,2-dimethyl-3-[(E)-2-methylbut-1-enyl]sulfanylprop-2-en-1-amine?
(E)-N,2-dimethyl-3-[(E)-2-methylbut-1-enyl]sulfanylprop-2-en-1-amine has a molecular weight of 185.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-dimethyl-3-[(E)-2-methylbut-1-enyl]sulfanylprop-2-en-1-amine is sourced from PubChem (CID 170038534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).