(2E,4Z)-1-N-[2-[ethyl(methyl)amino]ethyl]-2,6,6-trimethylhepta-2,4-diene-1,5-diamine

C15H31N3 — CID 134406773

IUPAC(2E,4Z)-1-N-[2-[ethyl(methyl)amino]ethyl]-2,6,6-trimethylhepta-2,4-diene-1,5-diamine
SMILESCCN(C)CCNC/C(C)=C/C=C(\N)C(C)(C)C
InChIInChI=1S/C15H31N3/c1-7-18(6)11-10-17-12-13(2)8-9-14(16)15(3,4)5/h8-9,17H,7,10-12,16H2,1-6H3/b13-8+,14-9-
InChIKeyXZPDYOKYAHHGMA-MGDWIPCISA-N
MW253.43 g/mol
LogP2.36
Rot. Bonds7

About (2E,4Z)-1-N-[2-[ethyl(methyl)amino]ethyl]-2,6,6-trimethylhepta-2,4-diene-1,5-diamine

(2E,4Z)-1-N-[2-[ethyl(methyl)amino]ethyl]-2,6,6-trimethylhepta-2,4-diene-1,5-diamine (PubChem CID 134406773) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is (2E,4Z)-1-N-[2-[ethyl(methyl)amino]ethyl]-2,6,6-trimethylhepta-2,4-diene-1,5-diamine.

Molecular Properties

Compound Name(2E,4Z)-1-N-[2-[ethyl(methyl)amino]ethyl]-2,6,6-trimethylhepta-2,4-diene-1,5-diamine
PubChem CID134406773
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name(2E,4Z)-1-N-[2-[ethyl(methyl)amino]ethyl]-2,6,6-trimethylhepta-2,4-diene-1,5-diamine
SMILESCCN(C)CCNC/C(C)=C/C=C(\N)C(C)(C)C
InChIInChI=1S/C15H31N3/c1-7-18(6)11-10-17-12-13(2)8-9-14(16)15(3,4)5/h8-9,17H,7,10-12,16H2,1-6H3/b13-8+,14-9-
InChIKeyXZPDYOKYAHHGMA-MGDWIPCISA-N
XLogP2.36
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-1-N-[2-[ethyl(methyl)amino]ethyl]-2,6,6-trimethylhepta-2,4-diene-1,5-diamine?
The IUPAC name of (2E,4Z)-1-N-[2-[ethyl(methyl)amino]ethyl]-2,6,6-trimethylhepta-2,4-diene-1,5-diamine (CID 134406773) is (2E,4Z)-1-N-[2-[ethyl(methyl)amino]ethyl]-2,6,6-trimethylhepta-2,4-diene-1,5-diamine.
What is the SMILES notation for (2E,4Z)-1-N-[2-[ethyl(methyl)amino]ethyl]-2,6,6-trimethylhepta-2,4-diene-1,5-diamine?
The canonical SMILES for (2E,4Z)-1-N-[2-[ethyl(methyl)amino]ethyl]-2,6,6-trimethylhepta-2,4-diene-1,5-diamine is CCN(C)CCNC/C(C)=C/C=C(\N)C(C)(C)C.
What is the InChIKey of (2E,4Z)-1-N-[2-[ethyl(methyl)amino]ethyl]-2,6,6-trimethylhepta-2,4-diene-1,5-diamine?
The InChIKey is XZPDYOKYAHHGMA-MGDWIPCISA-N. The full InChI is InChI=1S/C15H31N3/c1-7-18(6)11-10-17-12-13(2)8-9-14(16)15(3,4)5/h8-9,17H,7,10-12,16H2,1-6H3/b13-8+,14-9-.
What are the key properties of (2E,4Z)-1-N-[2-[ethyl(methyl)amino]ethyl]-2,6,6-trimethylhepta-2,4-diene-1,5-diamine?
(2E,4Z)-1-N-[2-[ethyl(methyl)amino]ethyl]-2,6,6-trimethylhepta-2,4-diene-1,5-diamine has a molecular weight of 253.43 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1-N-[2-[ethyl(methyl)amino]ethyl]-2,6,6-trimethylhepta-2,4-diene-1,5-diamine is sourced from PubChem (CID 134406773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).