(3E,4Z)-N-butyl-3-ethylidene-6-methylidene-N,8-dipropylundeca-1,4,10-trien-2-amine

C24H41N — CID 130412521

IUPAC(3E,4Z)-N-butyl-3-ethylidene-6-methylidene-N,8-dipropylundeca-1,4,10-trien-2-amine
SMILESC=CCC(CCC)CC(=C)/C=C\C(=C/C)C(=C)N(CCC)CCCC
InChIInChI=1S/C24H41N/c1-8-13-19-25(18-11-4)22(7)24(12-5)17-16-21(6)20-23(14-9-2)15-10-3/h9,12,16-17,23H,2,6-8,10-11,13-15,18-20H2,1,3-5H3/b17-16-,24-12+
InChIKeyRNMINCJPADESGZ-YHANDMHRSA-N
MW343.60 g/mol
LogP7.45
Rot. Bonds15

About (3E,4Z)-N-butyl-3-ethylidene-6-methylidene-N,8-dipropylundeca-1,4,10-trien-2-amine

(3E,4Z)-N-butyl-3-ethylidene-6-methylidene-N,8-dipropylundeca-1,4,10-trien-2-amine (PubChem CID 130412521) has the molecular formula C24H41N and a molecular weight of 343.60 g/mol. Its IUPAC name is (3E,4Z)-N-butyl-3-ethylidene-6-methylidene-N,8-dipropylundeca-1,4,10-trien-2-amine.

Molecular Properties

Compound Name(3E,4Z)-N-butyl-3-ethylidene-6-methylidene-N,8-dipropylundeca-1,4,10-trien-2-amine
PubChem CID130412521
Molecular FormulaC24H41N
Molecular Weight343.60 g/mol
Exact Mass343.32
IUPAC Name(3E,4Z)-N-butyl-3-ethylidene-6-methylidene-N,8-dipropylundeca-1,4,10-trien-2-amine
SMILESC=CCC(CCC)CC(=C)/C=C\C(=C/C)C(=C)N(CCC)CCCC
InChIInChI=1S/C24H41N/c1-8-13-19-25(18-11-4)22(7)24(12-5)17-16-21(6)20-23(14-9-2)15-10-3/h9,12,16-17,23H,2,6-8,10-11,13-15,18-20H2,1,3-5H3/b17-16-,24-12+
InChIKeyRNMINCJPADESGZ-YHANDMHRSA-N
XLogP7.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.60
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3E,4Z)-N-butyl-3-ethylidene-6-methylidene-N,8-dipropylundeca-1,4,10-trien-2-amine?
The IUPAC name of (3E,4Z)-N-butyl-3-ethylidene-6-methylidene-N,8-dipropylundeca-1,4,10-trien-2-amine (CID 130412521) is (3E,4Z)-N-butyl-3-ethylidene-6-methylidene-N,8-dipropylundeca-1,4,10-trien-2-amine.
What is the SMILES notation for (3E,4Z)-N-butyl-3-ethylidene-6-methylidene-N,8-dipropylundeca-1,4,10-trien-2-amine?
The canonical SMILES for (3E,4Z)-N-butyl-3-ethylidene-6-methylidene-N,8-dipropylundeca-1,4,10-trien-2-amine is C=CCC(CCC)CC(=C)/C=C\C(=C/C)C(=C)N(CCC)CCCC.
What is the InChIKey of (3E,4Z)-N-butyl-3-ethylidene-6-methylidene-N,8-dipropylundeca-1,4,10-trien-2-amine?
The InChIKey is RNMINCJPADESGZ-YHANDMHRSA-N. The full InChI is InChI=1S/C24H41N/c1-8-13-19-25(18-11-4)22(7)24(12-5)17-16-21(6)20-23(14-9-2)15-10-3/h9,12,16-17,23H,2,6-8,10-11,13-15,18-20H2,1,3-5H3/b17-16-,24-12+.
What are the key properties of (3E,4Z)-N-butyl-3-ethylidene-6-methylidene-N,8-dipropylundeca-1,4,10-trien-2-amine?
(3E,4Z)-N-butyl-3-ethylidene-6-methylidene-N,8-dipropylundeca-1,4,10-trien-2-amine has a molecular weight of 343.60 g/mol, XLogP of 7.45, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-N-butyl-3-ethylidene-6-methylidene-N,8-dipropylundeca-1,4,10-trien-2-amine is sourced from PubChem (CID 130412521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).