(Z)-N-methyl-3-(3-methylbutan-2-ylsulfanyl)prop-2-en-1-amine

C9H19NS — CID 146419888

IUPAC(Z)-N-methyl-3-(3-methylbutan-2-ylsulfanyl)prop-2-en-1-amine
SMILESCNC/C=C\SC(C)C(C)C
InChIInChI=1S/C9H19NS/c1-8(2)9(3)11-7-5-6-10-4/h5,7-10H,6H2,1-4H3/b7-5-
InChIKeyJGXPBWJVKYXGOO-ALCCZGGFSA-N
MW173.32 g/mol
LogP2.50
Rot. Bonds5

About (Z)-N-methyl-3-(3-methylbutan-2-ylsulfanyl)prop-2-en-1-amine

(Z)-N-methyl-3-(3-methylbutan-2-ylsulfanyl)prop-2-en-1-amine (PubChem CID 146419888) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is (Z)-N-methyl-3-(3-methylbutan-2-ylsulfanyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-3-(3-methylbutan-2-ylsulfanyl)prop-2-en-1-amine
PubChem CID146419888
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name(Z)-N-methyl-3-(3-methylbutan-2-ylsulfanyl)prop-2-en-1-amine
SMILESCNC/C=C\SC(C)C(C)C
InChIInChI=1S/C9H19NS/c1-8(2)9(3)11-7-5-6-10-4/h5,7-10H,6H2,1-4H3/b7-5-
InChIKeyJGXPBWJVKYXGOO-ALCCZGGFSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-3-(3-methylbutan-2-ylsulfanyl)prop-2-en-1-amine?
The IUPAC name of (Z)-N-methyl-3-(3-methylbutan-2-ylsulfanyl)prop-2-en-1-amine (CID 146419888) is (Z)-N-methyl-3-(3-methylbutan-2-ylsulfanyl)prop-2-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-3-(3-methylbutan-2-ylsulfanyl)prop-2-en-1-amine?
The canonical SMILES for (Z)-N-methyl-3-(3-methylbutan-2-ylsulfanyl)prop-2-en-1-amine is CNC/C=C\SC(C)C(C)C.
What is the InChIKey of (Z)-N-methyl-3-(3-methylbutan-2-ylsulfanyl)prop-2-en-1-amine?
The InChIKey is JGXPBWJVKYXGOO-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(2)9(3)11-7-5-6-10-4/h5,7-10H,6H2,1-4H3/b7-5-.
What are the key properties of (Z)-N-methyl-3-(3-methylbutan-2-ylsulfanyl)prop-2-en-1-amine?
(Z)-N-methyl-3-(3-methylbutan-2-ylsulfanyl)prop-2-en-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-3-(3-methylbutan-2-ylsulfanyl)prop-2-en-1-amine is sourced from PubChem (CID 146419888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).