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

C10H19N — CID 89370986

IUPAC(2E,4Z)-N-ethyl-N,2-dimethylhexa-2,4-dien-1-amine
SMILESC/C=C\C=C(/C)CN(C)CC
InChIInChI=1S/C10H19N/c1-5-7-8-10(3)9-11(4)6-2/h5,7-8H,6,9H2,1-4H3/b7-5-,10-8+
InChIKeyDKTHMOVBJBQAHV-SUTBWYPISA-N
MW153.27 g/mol
LogP2.46
Rot. Bonds4

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

(2E,4Z)-N-ethyl-N,2-dimethylhexa-2,4-dien-1-amine (PubChem CID 89370986) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (2E,4Z)-N-ethyl-N,2-dimethylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-N-ethyl-N,2-dimethylhexa-2,4-dien-1-amine
PubChem CID89370986
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(2E,4Z)-N-ethyl-N,2-dimethylhexa-2,4-dien-1-amine
SMILESC/C=C\C=C(/C)CN(C)CC
InChIInChI=1S/C10H19N/c1-5-7-8-10(3)9-11(4)6-2/h5,7-8H,6,9H2,1-4H3/b7-5-,10-8+
InChIKeyDKTHMOVBJBQAHV-SUTBWYPISA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.46
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 (2E,4Z)-N-ethyl-N,2-dimethylhexa-2,4-dien-1-amine?
The IUPAC name of (2E,4Z)-N-ethyl-N,2-dimethylhexa-2,4-dien-1-amine (CID 89370986) is (2E,4Z)-N-ethyl-N,2-dimethylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4Z)-N-ethyl-N,2-dimethylhexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4Z)-N-ethyl-N,2-dimethylhexa-2,4-dien-1-amine is C/C=C\C=C(/C)CN(C)CC.
What is the InChIKey of (2E,4Z)-N-ethyl-N,2-dimethylhexa-2,4-dien-1-amine?
The InChIKey is DKTHMOVBJBQAHV-SUTBWYPISA-N. The full InChI is InChI=1S/C10H19N/c1-5-7-8-10(3)9-11(4)6-2/h5,7-8H,6,9H2,1-4H3/b7-5-,10-8+.
What are the key properties of (2E,4Z)-N-ethyl-N,2-dimethylhexa-2,4-dien-1-amine?
(2E,4Z)-N-ethyl-N,2-dimethylhexa-2,4-dien-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-ethyl-N,2-dimethylhexa-2,4-dien-1-amine is sourced from PubChem (CID 89370986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).