(2E,4Z)-2-methylsulfanyl-N-prop-1-en-2-ylhexa-2,4-dien-1-amine

C10H17NS — CID 89088796

IUPAC(2E,4Z)-2-methylsulfanyl-N-prop-1-en-2-ylhexa-2,4-dien-1-amine
SMILESC=C(C)NC/C(=C\C=C/C)SC
InChIInChI=1S/C10H17NS/c1-5-6-7-10(12-4)8-11-9(2)3/h5-7,11H,2,8H2,1,3-4H3/b6-5-,10-7+
InChIKeyUVYOVZUPQQLJQP-ZZWPSLBBSA-N
MW183.32 g/mol
LogP2.93
Rot. Bonds5

About (2E,4Z)-2-methylsulfanyl-N-prop-1-en-2-ylhexa-2,4-dien-1-amine

(2E,4Z)-2-methylsulfanyl-N-prop-1-en-2-ylhexa-2,4-dien-1-amine (PubChem CID 89088796) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is (2E,4Z)-2-methylsulfanyl-N-prop-1-en-2-ylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-2-methylsulfanyl-N-prop-1-en-2-ylhexa-2,4-dien-1-amine
PubChem CID89088796
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name(2E,4Z)-2-methylsulfanyl-N-prop-1-en-2-ylhexa-2,4-dien-1-amine
SMILESC=C(C)NC/C(=C\C=C/C)SC
InChIInChI=1S/C10H17NS/c1-5-6-7-10(12-4)8-11-9(2)3/h5-7,11H,2,8H2,1,3-4H3/b6-5-,10-7+
InChIKeyUVYOVZUPQQLJQP-ZZWPSLBBSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.93
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 (2E,4Z)-2-methylsulfanyl-N-prop-1-en-2-ylhexa-2,4-dien-1-amine?
The IUPAC name of (2E,4Z)-2-methylsulfanyl-N-prop-1-en-2-ylhexa-2,4-dien-1-amine (CID 89088796) is (2E,4Z)-2-methylsulfanyl-N-prop-1-en-2-ylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4Z)-2-methylsulfanyl-N-prop-1-en-2-ylhexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4Z)-2-methylsulfanyl-N-prop-1-en-2-ylhexa-2,4-dien-1-amine is C=C(C)NC/C(=C\C=C/C)SC.
What is the InChIKey of (2E,4Z)-2-methylsulfanyl-N-prop-1-en-2-ylhexa-2,4-dien-1-amine?
The InChIKey is UVYOVZUPQQLJQP-ZZWPSLBBSA-N. The full InChI is InChI=1S/C10H17NS/c1-5-6-7-10(12-4)8-11-9(2)3/h5-7,11H,2,8H2,1,3-4H3/b6-5-,10-7+.
What are the key properties of (2E,4Z)-2-methylsulfanyl-N-prop-1-en-2-ylhexa-2,4-dien-1-amine?
(2E,4Z)-2-methylsulfanyl-N-prop-1-en-2-ylhexa-2,4-dien-1-amine has a molecular weight of 183.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-methylsulfanyl-N-prop-1-en-2-ylhexa-2,4-dien-1-amine is sourced from PubChem (CID 89088796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).