(3Z)-5-methyl-3-prop-1-en-2-ylsulfanylhexa-3,5-dien-2-amine

C10H17NS — CID 155349125

IUPAC(3Z)-5-methyl-3-prop-1-en-2-ylsulfanylhexa-3,5-dien-2-amine
SMILESC=C(C)/C=C(\SC(=C)C)C(C)N
InChIInChI=1S/C10H17NS/c1-7(2)6-10(9(5)11)12-8(3)4/h6,9H,1,3,11H2,2,4-5H3/b10-6-
InChIKeyHNOWKNZRXUCQNC-POHAHGRESA-N
MW183.32 g/mol
LogP3.06
Rot. Bonds4

About (3Z)-5-methyl-3-prop-1-en-2-ylsulfanylhexa-3,5-dien-2-amine

(3Z)-5-methyl-3-prop-1-en-2-ylsulfanylhexa-3,5-dien-2-amine (PubChem CID 155349125) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is (3Z)-5-methyl-3-prop-1-en-2-ylsulfanylhexa-3,5-dien-2-amine.

Molecular Properties

Compound Name(3Z)-5-methyl-3-prop-1-en-2-ylsulfanylhexa-3,5-dien-2-amine
PubChem CID155349125
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name(3Z)-5-methyl-3-prop-1-en-2-ylsulfanylhexa-3,5-dien-2-amine
SMILESC=C(C)/C=C(\SC(=C)C)C(C)N
InChIInChI=1S/C10H17NS/c1-7(2)6-10(9(5)11)12-8(3)4/h6,9H,1,3,11H2,2,4-5H3/b10-6-
InChIKeyHNOWKNZRXUCQNC-POHAHGRESA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
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 (3Z)-5-methyl-3-prop-1-en-2-ylsulfanylhexa-3,5-dien-2-amine?
The IUPAC name of (3Z)-5-methyl-3-prop-1-en-2-ylsulfanylhexa-3,5-dien-2-amine (CID 155349125) is (3Z)-5-methyl-3-prop-1-en-2-ylsulfanylhexa-3,5-dien-2-amine.
What is the SMILES notation for (3Z)-5-methyl-3-prop-1-en-2-ylsulfanylhexa-3,5-dien-2-amine?
The canonical SMILES for (3Z)-5-methyl-3-prop-1-en-2-ylsulfanylhexa-3,5-dien-2-amine is C=C(C)/C=C(\SC(=C)C)C(C)N.
What is the InChIKey of (3Z)-5-methyl-3-prop-1-en-2-ylsulfanylhexa-3,5-dien-2-amine?
The InChIKey is HNOWKNZRXUCQNC-POHAHGRESA-N. The full InChI is InChI=1S/C10H17NS/c1-7(2)6-10(9(5)11)12-8(3)4/h6,9H,1,3,11H2,2,4-5H3/b10-6-.
What are the key properties of (3Z)-5-methyl-3-prop-1-en-2-ylsulfanylhexa-3,5-dien-2-amine?
(3Z)-5-methyl-3-prop-1-en-2-ylsulfanylhexa-3,5-dien-2-amine has a molecular weight of 183.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methyl-3-prop-1-en-2-ylsulfanylhexa-3,5-dien-2-amine is sourced from PubChem (CID 155349125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).