6-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]hept-6-ene-1,6-diamine

C15H26N2 — CID 89262994

IUPAC6-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]hept-6-ene-1,6-diamine
SMILESC=C/C(=C\C=C(C)C)NC(=C)CCCCCN
InChIInChI=1S/C15H26N2/c1-5-15(11-10-13(2)3)17-14(4)9-7-6-8-12-16/h5,10-11,17H,1,4,6-9,12,16H2,2-3H3/b15-11+
InChIKeyZTGARXDRIDVMJU-RVDMUPIBSA-N
MW234.39 g/mol
LogP3.64
Rot. Bonds9

About 6-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]hept-6-ene-1,6-diamine

6-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]hept-6-ene-1,6-diamine (PubChem CID 89262994) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 6-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]hept-6-ene-1,6-diamine.

Molecular Properties

Compound Name6-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]hept-6-ene-1,6-diamine
PubChem CID89262994
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name6-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]hept-6-ene-1,6-diamine
SMILESC=C/C(=C\C=C(C)C)NC(=C)CCCCCN
InChIInChI=1S/C15H26N2/c1-5-15(11-10-13(2)3)17-14(4)9-7-6-8-12-16/h5,10-11,17H,1,4,6-9,12,16H2,2-3H3/b15-11+
InChIKeyZTGARXDRIDVMJU-RVDMUPIBSA-N
XLogP3.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 6-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]hept-6-ene-1,6-diamine?
The IUPAC name of 6-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]hept-6-ene-1,6-diamine (CID 89262994) is 6-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]hept-6-ene-1,6-diamine.
What is the SMILES notation for 6-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]hept-6-ene-1,6-diamine?
The canonical SMILES for 6-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]hept-6-ene-1,6-diamine is C=C/C(=C\C=C(C)C)NC(=C)CCCCCN.
What is the InChIKey of 6-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]hept-6-ene-1,6-diamine?
The InChIKey is ZTGARXDRIDVMJU-RVDMUPIBSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-15(11-10-13(2)3)17-14(4)9-7-6-8-12-16/h5,10-11,17H,1,4,6-9,12,16H2,2-3H3/b15-11+.
What are the key properties of 6-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]hept-6-ene-1,6-diamine?
6-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]hept-6-ene-1,6-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]hept-6-ene-1,6-diamine is sourced from PubChem (CID 89262994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).