(Z)-2,5-dimethyl-4-methylsulfanylhex-3-en-3-amine

C9H19NS — CID 170025013

IUPAC(Z)-2,5-dimethyl-4-methylsulfanylhex-3-en-3-amine
SMILESCS/C(=C(\N)C(C)C)C(C)C
InChIInChI=1S/C9H19NS/c1-6(2)8(10)9(11-5)7(3)4/h6-7H,10H2,1-5H3/b9-8-
InChIKeySQSZKYLOHYVUSZ-HJWRWDBZSA-N
MW173.32 g/mol
LogP2.83
Rot. Bonds3

About (Z)-2,5-dimethyl-4-methylsulfanylhex-3-en-3-amine

(Z)-2,5-dimethyl-4-methylsulfanylhex-3-en-3-amine (PubChem CID 170025013) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is (Z)-2,5-dimethyl-4-methylsulfanylhex-3-en-3-amine.

Molecular Properties

Compound Name(Z)-2,5-dimethyl-4-methylsulfanylhex-3-en-3-amine
PubChem CID170025013
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name(Z)-2,5-dimethyl-4-methylsulfanylhex-3-en-3-amine
SMILESCS/C(=C(\N)C(C)C)C(C)C
InChIInChI=1S/C9H19NS/c1-6(2)8(10)9(11-5)7(3)4/h6-7H,10H2,1-5H3/b9-8-
InChIKeySQSZKYLOHYVUSZ-HJWRWDBZSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,5-dimethyl-4-methylsulfanylhex-3-en-3-amine?
The IUPAC name of (Z)-2,5-dimethyl-4-methylsulfanylhex-3-en-3-amine (CID 170025013) is (Z)-2,5-dimethyl-4-methylsulfanylhex-3-en-3-amine.
What is the SMILES notation for (Z)-2,5-dimethyl-4-methylsulfanylhex-3-en-3-amine?
The canonical SMILES for (Z)-2,5-dimethyl-4-methylsulfanylhex-3-en-3-amine is CS/C(=C(\N)C(C)C)C(C)C.
What is the InChIKey of (Z)-2,5-dimethyl-4-methylsulfanylhex-3-en-3-amine?
The InChIKey is SQSZKYLOHYVUSZ-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H19NS/c1-6(2)8(10)9(11-5)7(3)4/h6-7H,10H2,1-5H3/b9-8-.
What are the key properties of (Z)-2,5-dimethyl-4-methylsulfanylhex-3-en-3-amine?
(Z)-2,5-dimethyl-4-methylsulfanylhex-3-en-3-amine has a molecular weight of 173.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,5-dimethyl-4-methylsulfanylhex-3-en-3-amine is sourced from PubChem (CID 170025013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).