(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-triene-1,2-diamine

C17H32N2 — CID 90116637

IUPAC(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-triene-1,2-diamine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC(N)CN
InChIInChI=1S/C17H32N2/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-17(19)13-18/h7,9,11,17H,5-6,8,10,12-13,18-19H2,1-4H3/b15-9+,16-11+
InChIKeyKEILTEXEAMBVEL-XGGJEREUSA-N
MW264.46 g/mol
LogP4.08
Rot. Bonds9

About (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-triene-1,2-diamine

(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-triene-1,2-diamine (PubChem CID 90116637) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-triene-1,2-diamine.

Molecular Properties

Compound Name(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-triene-1,2-diamine
PubChem CID90116637
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-triene-1,2-diamine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC(N)CN
InChIInChI=1S/C17H32N2/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-17(19)13-18/h7,9,11,17H,5-6,8,10,12-13,18-19H2,1-4H3/b15-9+,16-11+
InChIKeyKEILTEXEAMBVEL-XGGJEREUSA-N
XLogP4.08
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E)-6,10-dimethylundeca-5,9-dien-3-amine
CID 170888547
(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(2Z)-3,7-dimethylocta-2,6-dien-1-amine
CID 5362850
(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
CID 88794076
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
6,10,14-trimethyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)pentadeca-5,9,13-trien-1-ol
CID 54034221
(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2,3-triol
CID 121434427
dimethyl 2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]propanedioate
CID 10597387

Frequently Asked Questions

What is the IUPAC name of (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-triene-1,2-diamine?
The IUPAC name of (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-triene-1,2-diamine (CID 90116637) is (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-triene-1,2-diamine.
What is the SMILES notation for (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-triene-1,2-diamine?
The canonical SMILES for (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-triene-1,2-diamine is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC(N)CN.
What is the InChIKey of (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-triene-1,2-diamine?
The InChIKey is KEILTEXEAMBVEL-XGGJEREUSA-N. The full InChI is InChI=1S/C17H32N2/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-17(19)13-18/h7,9,11,17H,5-6,8,10,12-13,18-19H2,1-4H3/b15-9+,16-11+.
What are the key properties of (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-triene-1,2-diamine?
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-triene-1,2-diamine has a molecular weight of 264.46 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-triene-1,2-diamine is sourced from PubChem (CID 90116637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).