(E)-N'-(1-aminoethenyl)-N-(2-ethenylpent-4-enyl)-2-ethyl-6-methylhept-1-ene-1,7-diamine

C19H34N3- — CID 91508740

IUPAC(E)-N'-(1-aminoethenyl)-N-(2-ethenylpent-4-enyl)-2-ethyl-6-methylhept-1-ene-1,7-diamine
SMILESC=CCC(C=C)CN/C=C(\[CH-]C)CCCC(C)CNC(=C)N
InChIInChI=1S/C19H34N3/c1-6-10-18(7-2)14-21-15-19(8-3)12-9-11-16(4)13-22-17(5)20/h6-8,15-16,18,21-22H,1-2,5,9-14,20H2,3-4H3/q-1/b19-15+
InChIKeyFTEJUFILZZCVSS-XDJHFCHBSA-N
MW304.50 g/mol
LogP3.89
Rot. Bonds14

About (E)-N'-(1-aminoethenyl)-N-(2-ethenylpent-4-enyl)-2-ethyl-6-methylhept-1-ene-1,7-diamine

(E)-N'-(1-aminoethenyl)-N-(2-ethenylpent-4-enyl)-2-ethyl-6-methylhept-1-ene-1,7-diamine (PubChem CID 91508740) has the molecular formula C19H34N3- and a molecular weight of 304.50 g/mol. Its IUPAC name is (E)-N'-(1-aminoethenyl)-N-(2-ethenylpent-4-enyl)-2-ethyl-6-methylhept-1-ene-1,7-diamine.

Molecular Properties

Compound Name(E)-N'-(1-aminoethenyl)-N-(2-ethenylpent-4-enyl)-2-ethyl-6-methylhept-1-ene-1,7-diamine
PubChem CID91508740
Molecular FormulaC19H34N3-
Molecular Weight304.50 g/mol
Exact Mass304.28
IUPAC Name(E)-N'-(1-aminoethenyl)-N-(2-ethenylpent-4-enyl)-2-ethyl-6-methylhept-1-ene-1,7-diamine
SMILESC=CCC(C=C)CN/C=C(\[CH-]C)CCCC(C)CNC(=C)N
InChIInChI=1S/C19H34N3/c1-6-10-18(7-2)14-21-15-19(8-3)12-9-11-16(4)13-22-17(5)20/h6-8,15-16,18,21-22H,1-2,5,9-14,20H2,3-4H3/q-1/b19-15+
InChIKeyFTEJUFILZZCVSS-XDJHFCHBSA-N
XLogP3.89
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N'-(1-aminoethenyl)-N-(2-ethenylpent-4-enyl)-2-ethyl-6-methylhept-1-ene-1,7-diamine?
The IUPAC name of (E)-N'-(1-aminoethenyl)-N-(2-ethenylpent-4-enyl)-2-ethyl-6-methylhept-1-ene-1,7-diamine (CID 91508740) is (E)-N'-(1-aminoethenyl)-N-(2-ethenylpent-4-enyl)-2-ethyl-6-methylhept-1-ene-1,7-diamine.
What is the SMILES notation for (E)-N'-(1-aminoethenyl)-N-(2-ethenylpent-4-enyl)-2-ethyl-6-methylhept-1-ene-1,7-diamine?
The canonical SMILES for (E)-N'-(1-aminoethenyl)-N-(2-ethenylpent-4-enyl)-2-ethyl-6-methylhept-1-ene-1,7-diamine is C=CCC(C=C)CN/C=C(\[CH-]C)CCCC(C)CNC(=C)N.
What is the InChIKey of (E)-N'-(1-aminoethenyl)-N-(2-ethenylpent-4-enyl)-2-ethyl-6-methylhept-1-ene-1,7-diamine?
The InChIKey is FTEJUFILZZCVSS-XDJHFCHBSA-N. The full InChI is InChI=1S/C19H34N3/c1-6-10-18(7-2)14-21-15-19(8-3)12-9-11-16(4)13-22-17(5)20/h6-8,15-16,18,21-22H,1-2,5,9-14,20H2,3-4H3/q-1/b19-15+.
What are the key properties of (E)-N'-(1-aminoethenyl)-N-(2-ethenylpent-4-enyl)-2-ethyl-6-methylhept-1-ene-1,7-diamine?
(E)-N'-(1-aminoethenyl)-N-(2-ethenylpent-4-enyl)-2-ethyl-6-methylhept-1-ene-1,7-diamine has a molecular weight of 304.50 g/mol, XLogP of 3.89, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(1-aminoethenyl)-N-(2-ethenylpent-4-enyl)-2-ethyl-6-methylhept-1-ene-1,7-diamine is sourced from PubChem (CID 91508740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).