(3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine

C9H17N — CID 90250613

IUPAC(3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine
SMILESC=C/C=C/CCN(C)CC
InChIInChI=1S/C9H17N/c1-4-6-7-8-9-10(3)5-2/h4,6-7H,1,5,8-9H2,2-3H3/b7-6+
InChIKeyDASZBYGECVVRHO-VOTSOKGWSA-N
MW139.24 g/mol
LogP2.07
Rot. Bonds5

About (3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine

(3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine (PubChem CID 90250613) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine
PubChem CID90250613
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine
SMILESC=C/C=C/CCN(C)CC
InChIInChI=1S/C9H17N/c1-4-6-7-8-9-10(3)5-2/h4,6-7H,1,5,8-9H2,2-3H3/b7-6+
InChIKeyDASZBYGECVVRHO-VOTSOKGWSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.07
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)-N-ethyl-N-methylhexa-3,5-dien-1-amine?
The IUPAC name of (3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine (CID 90250613) is (3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine.
What is the SMILES notation for (3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine?
The canonical SMILES for (3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine is C=C/C=C/CCN(C)CC.
What is the InChIKey of (3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine?
The InChIKey is DASZBYGECVVRHO-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-7-8-9-10(3)5-2/h4,6-7H,1,5,8-9H2,2-3H3/b7-6+.
What are the key properties of (3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine?
(3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine is sourced from PubChem (CID 90250613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).