(3E,4Z)-3-ethylidene-N,N-dimethylhexa-1,4-dien-2-amine

C10H17N — CID 138716209

IUPAC(3E,4Z)-3-ethylidene-N,N-dimethylhexa-1,4-dien-2-amine
SMILESC=C(C(/C=C\C)=C/C)N(C)C
InChIInChI=1S/C10H17N/c1-6-8-10(7-2)9(3)11(4)5/h6-8H,3H2,1-2,4-5H3/b8-6-,10-7+
InChIKeyJGOXIFZYYQOZLG-GOOBONSCSA-N
MW151.25 g/mol
LogP2.58
Rot. Bonds3

About (3E,4Z)-3-ethylidene-N,N-dimethylhexa-1,4-dien-2-amine

(3E,4Z)-3-ethylidene-N,N-dimethylhexa-1,4-dien-2-amine (PubChem CID 138716209) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (3E,4Z)-3-ethylidene-N,N-dimethylhexa-1,4-dien-2-amine.

Molecular Properties

Compound Name(3E,4Z)-3-ethylidene-N,N-dimethylhexa-1,4-dien-2-amine
PubChem CID138716209
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(3E,4Z)-3-ethylidene-N,N-dimethylhexa-1,4-dien-2-amine
SMILESC=C(C(/C=C\C)=C/C)N(C)C
InChIInChI=1S/C10H17N/c1-6-8-10(7-2)9(3)11(4)5/h6-8H,3H2,1-2,4-5H3/b8-6-,10-7+
InChIKeyJGOXIFZYYQOZLG-GOOBONSCSA-N
XLogP2.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-3-ethylidene-N,N-dimethylhexa-1,4-dien-2-amine?
The IUPAC name of (3E,4Z)-3-ethylidene-N,N-dimethylhexa-1,4-dien-2-amine (CID 138716209) is (3E,4Z)-3-ethylidene-N,N-dimethylhexa-1,4-dien-2-amine.
What is the SMILES notation for (3E,4Z)-3-ethylidene-N,N-dimethylhexa-1,4-dien-2-amine?
The canonical SMILES for (3E,4Z)-3-ethylidene-N,N-dimethylhexa-1,4-dien-2-amine is C=C(C(/C=C\C)=C/C)N(C)C.
What is the InChIKey of (3E,4Z)-3-ethylidene-N,N-dimethylhexa-1,4-dien-2-amine?
The InChIKey is JGOXIFZYYQOZLG-GOOBONSCSA-N. The full InChI is InChI=1S/C10H17N/c1-6-8-10(7-2)9(3)11(4)5/h6-8H,3H2,1-2,4-5H3/b8-6-,10-7+.
What are the key properties of (3E,4Z)-3-ethylidene-N,N-dimethylhexa-1,4-dien-2-amine?
(3E,4Z)-3-ethylidene-N,N-dimethylhexa-1,4-dien-2-amine has a molecular weight of 151.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-3-ethylidene-N,N-dimethylhexa-1,4-dien-2-amine is sourced from PubChem (CID 138716209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).