N'-(3,7,11-trimethyldodeca-2,6,10-trienyl)butane-1,4-diamine

C19H36N2 — CID 123875955

IUPACN'-(3,7,11-trimethyldodeca-2,6,10-trienyl)butane-1,4-diamine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCNCCCCN
InChIInChI=1S/C19H36N2/c1-17(2)9-7-10-18(3)11-8-12-19(4)13-16-21-15-6-5-14-20/h9,11,13,21H,5-8,10,12,14-16,20H2,1-4H3
InChIKeyXSVVQHKMJPUNSL-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.73
Rot. Bonds12

About N'-(3,7,11-trimethyldodeca-2,6,10-trienyl)butane-1,4-diamine

N'-(3,7,11-trimethyldodeca-2,6,10-trienyl)butane-1,4-diamine (PubChem CID 123875955) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is N'-(3,7,11-trimethyldodeca-2,6,10-trienyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(3,7,11-trimethyldodeca-2,6,10-trienyl)butane-1,4-diamine
PubChem CID123875955
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC NameN'-(3,7,11-trimethyldodeca-2,6,10-trienyl)butane-1,4-diamine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCNCCCCN
InChIInChI=1S/C19H36N2/c1-17(2)9-7-10-18(3)11-8-12-19(4)13-16-21-15-6-5-14-20/h9,11,13,21H,5-8,10,12,14-16,20H2,1-4H3
InChIKeyXSVVQHKMJPUNSL-UHFFFAOYSA-N
XLogP4.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propyl]octane-1,8-diamine
CID 147822843
3,7,11-trimethyl-N-(3-pyrrolidin-1-ylpropyl)dodeca-2,6,10-trien-1-amine
CID 72671729
N'-(3-methylbut-2-enyl)ethane-1,2-diamine
CID 107899865
(2E)-N-chloro-3,7-dimethylocta-2,6-dien-1-amine
CID 141263523
(2E)-N-[2-(aziridin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 5365864
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,7-dimethylocta-2,6-dienamide
CID 72671792
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(2E)-N-[3-(1-adamantyl)propyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 165083551
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782

Frequently Asked Questions

What is the IUPAC name of N'-(3,7,11-trimethyldodeca-2,6,10-trienyl)butane-1,4-diamine?
The IUPAC name of N'-(3,7,11-trimethyldodeca-2,6,10-trienyl)butane-1,4-diamine (CID 123875955) is N'-(3,7,11-trimethyldodeca-2,6,10-trienyl)butane-1,4-diamine.
What is the SMILES notation for N'-(3,7,11-trimethyldodeca-2,6,10-trienyl)butane-1,4-diamine?
The canonical SMILES for N'-(3,7,11-trimethyldodeca-2,6,10-trienyl)butane-1,4-diamine is CC(C)=CCCC(C)=CCCC(C)=CCNCCCCN.
What is the InChIKey of N'-(3,7,11-trimethyldodeca-2,6,10-trienyl)butane-1,4-diamine?
The InChIKey is XSVVQHKMJPUNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-17(2)9-7-10-18(3)11-8-12-19(4)13-16-21-15-6-5-14-20/h9,11,13,21H,5-8,10,12,14-16,20H2,1-4H3.
What are the key properties of N'-(3,7,11-trimethyldodeca-2,6,10-trienyl)butane-1,4-diamine?
N'-(3,7,11-trimethyldodeca-2,6,10-trienyl)butane-1,4-diamine has a molecular weight of 292.51 g/mol, XLogP of 4.73, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,7,11-trimethyldodeca-2,6,10-trienyl)butane-1,4-diamine is sourced from PubChem (CID 123875955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).