(2E,4E)-N-ethyl-N-prop-2-enyl-4-prop-2-enylsulfanylhexa-2,4-dien-3-amine

C14H23NS — CID 153369934

IUPAC(2E,4E)-N-ethyl-N-prop-2-enyl-4-prop-2-enylsulfanylhexa-2,4-dien-3-amine
SMILESC=CCSC(=C/C)/C(=C\C)N(CC)CC=C
InChIInChI=1S/C14H23NS/c1-6-11-15(10-5)13(8-3)14(9-4)16-12-7-2/h6-9H,1-2,10-12H2,3-5H3/b13-8+,14-9+
InChIKeyJTCNCYMISZNPCO-UQNWOCKMSA-N
MW237.41 g/mol
LogP4.22
Rot. Bonds8

About (2E,4E)-N-ethyl-N-prop-2-enyl-4-prop-2-enylsulfanylhexa-2,4-dien-3-amine

(2E,4E)-N-ethyl-N-prop-2-enyl-4-prop-2-enylsulfanylhexa-2,4-dien-3-amine (PubChem CID 153369934) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is (2E,4E)-N-ethyl-N-prop-2-enyl-4-prop-2-enylsulfanylhexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4E)-N-ethyl-N-prop-2-enyl-4-prop-2-enylsulfanylhexa-2,4-dien-3-amine
PubChem CID153369934
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name(2E,4E)-N-ethyl-N-prop-2-enyl-4-prop-2-enylsulfanylhexa-2,4-dien-3-amine
SMILESC=CCSC(=C/C)/C(=C\C)N(CC)CC=C
InChIInChI=1S/C14H23NS/c1-6-11-15(10-5)13(8-3)14(9-4)16-12-7-2/h6-9H,1-2,10-12H2,3-5H3/b13-8+,14-9+
InChIKeyJTCNCYMISZNPCO-UQNWOCKMSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-ethyl-N-prop-2-enyl-4-prop-2-enylsulfanylhexa-2,4-dien-3-amine?
The IUPAC name of (2E,4E)-N-ethyl-N-prop-2-enyl-4-prop-2-enylsulfanylhexa-2,4-dien-3-amine (CID 153369934) is (2E,4E)-N-ethyl-N-prop-2-enyl-4-prop-2-enylsulfanylhexa-2,4-dien-3-amine.
What is the SMILES notation for (2E,4E)-N-ethyl-N-prop-2-enyl-4-prop-2-enylsulfanylhexa-2,4-dien-3-amine?
The canonical SMILES for (2E,4E)-N-ethyl-N-prop-2-enyl-4-prop-2-enylsulfanylhexa-2,4-dien-3-amine is C=CCSC(=C/C)/C(=C\C)N(CC)CC=C.
What is the InChIKey of (2E,4E)-N-ethyl-N-prop-2-enyl-4-prop-2-enylsulfanylhexa-2,4-dien-3-amine?
The InChIKey is JTCNCYMISZNPCO-UQNWOCKMSA-N. The full InChI is InChI=1S/C14H23NS/c1-6-11-15(10-5)13(8-3)14(9-4)16-12-7-2/h6-9H,1-2,10-12H2,3-5H3/b13-8+,14-9+.
What are the key properties of (2E,4E)-N-ethyl-N-prop-2-enyl-4-prop-2-enylsulfanylhexa-2,4-dien-3-amine?
(2E,4E)-N-ethyl-N-prop-2-enyl-4-prop-2-enylsulfanylhexa-2,4-dien-3-amine has a molecular weight of 237.41 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-ethyl-N-prop-2-enyl-4-prop-2-enylsulfanylhexa-2,4-dien-3-amine is sourced from PubChem (CID 153369934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).