(2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine

C17H31N — CID 10586730

IUPAC(2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN(C)C
InChIInChI=1S/C17H31N/c1-15(2)9-7-10-16(3)11-8-12-17(4)13-14-18(5)6/h9,11,13H,7-8,10,12,14H2,1-6H3/b16-11+,17-13+
InChIKeyYDXHWMQMPARYTQ-IUBLYSDUSA-N
MW249.44 g/mol
LogP4.97
Rot. Bonds8

About (2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine

(2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine (PubChem CID 10586730) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is (2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine.

Molecular Properties

Compound Name(2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine
PubChem CID10586730
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name(2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN(C)C
InChIInChI=1S/C17H31N/c1-15(2)9-7-10-16(3)11-8-12-17(4)13-14-18(5)6/h9,11,13H,7-8,10,12,14H2,1-6H3/b16-11+,17-13+
InChIKeyYDXHWMQMPARYTQ-IUBLYSDUSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine with MolForge

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Related Compounds

(2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane
CID 145357021
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589
ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 143275958
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E,6E,10E,14E,18E,22E,26E,30E,34E)-1-chloro-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaene
CID 13174780

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine?
The IUPAC name of (2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine (CID 10586730) is (2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine.
What is the SMILES notation for (2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine?
The canonical SMILES for (2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine is CC(C)=CCC/C(C)=C/CC/C(C)=C/CN(C)C.
What is the InChIKey of (2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine?
The InChIKey is YDXHWMQMPARYTQ-IUBLYSDUSA-N. The full InChI is InChI=1S/C17H31N/c1-15(2)9-7-10-16(3)11-8-12-17(4)13-14-18(5)6/h9,11,13H,7-8,10,12,14H2,1-6H3/b16-11+,17-13+.
What are the key properties of (2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine?
(2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine is sourced from PubChem (CID 10586730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).