(3E,5Z)-N-ethyl-N-methylocta-1,3,5-trien-3-amine

C11H19N — CID 130453012

IUPAC(3E,5Z)-N-ethyl-N-methylocta-1,3,5-trien-3-amine
SMILESC=C/C(=C\C=C/CC)N(C)CC
InChIInChI=1S/C11H19N/c1-5-8-9-10-11(6-2)12(4)7-3/h6,8-10H,2,5,7H2,1,3-4H3/b9-8-,11-10+
InChIKeyWLECMJYRICXZKP-QNRZBPGKSA-N
MW165.28 g/mol
LogP2.97
Rot. Bonds5

About (3E,5Z)-N-ethyl-N-methylocta-1,3,5-trien-3-amine

(3E,5Z)-N-ethyl-N-methylocta-1,3,5-trien-3-amine (PubChem CID 130453012) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (3E,5Z)-N-ethyl-N-methylocta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5Z)-N-ethyl-N-methylocta-1,3,5-trien-3-amine
PubChem CID130453012
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(3E,5Z)-N-ethyl-N-methylocta-1,3,5-trien-3-amine
SMILESC=C/C(=C\C=C/CC)N(C)CC
InChIInChI=1S/C11H19N/c1-5-8-9-10-11(6-2)12(4)7-3/h6,8-10H,2,5,7H2,1,3-4H3/b9-8-,11-10+
InChIKeyWLECMJYRICXZKP-QNRZBPGKSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.97
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,5Z)-N-ethyl-N-methylocta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5Z)-N-ethyl-N-methylocta-1,3,5-trien-3-amine (CID 130453012) is (3E,5Z)-N-ethyl-N-methylocta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5Z)-N-ethyl-N-methylocta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5Z)-N-ethyl-N-methylocta-1,3,5-trien-3-amine is C=C/C(=C\C=C/CC)N(C)CC.
What is the InChIKey of (3E,5Z)-N-ethyl-N-methylocta-1,3,5-trien-3-amine?
The InChIKey is WLECMJYRICXZKP-QNRZBPGKSA-N. The full InChI is InChI=1S/C11H19N/c1-5-8-9-10-11(6-2)12(4)7-3/h6,8-10H,2,5,7H2,1,3-4H3/b9-8-,11-10+.
What are the key properties of (3E,5Z)-N-ethyl-N-methylocta-1,3,5-trien-3-amine?
(3E,5Z)-N-ethyl-N-methylocta-1,3,5-trien-3-amine has a molecular weight of 165.28 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-ethyl-N-methylocta-1,3,5-trien-3-amine is sourced from PubChem (CID 130453012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).