(3S)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine

C19H35N — CID 123394667

IUPAC(3S)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine
SMILESCCN(C=C[C@@H](C)CCC=C(C)CCC=C(C)C)CC
InChIInChI=1S/C19H35N/c1-7-20(8-2)16-15-19(6)14-10-13-18(5)12-9-11-17(3)4/h11,13,15-16,19H,7-10,12,14H2,1-6H3/t19-/m0/s1
InChIKeyJUHARBSJQFPJRH-IBGZPJMESA-N
MW277.50 g/mol
LogP5.95
Rot. Bonds10

About (3S)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine

(3S)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine (PubChem CID 123394667) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is (3S)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine.

Molecular Properties

Compound Name(3S)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine
PubChem CID123394667
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name(3S)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine
SMILESCCN(C=C[C@@H](C)CCC=C(C)CCC=C(C)C)CC
InChIInChI=1S/C19H35N/c1-7-20(8-2)16-15-19(6)14-10-13-18(5)12-9-11-17(3)4/h11,13,15-16,19H,7-10,12,14H2,1-6H3/t19-/m0/s1
InChIKeyJUHARBSJQFPJRH-IBGZPJMESA-N
XLogP5.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine with MolForge

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Related Compounds

(1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine
CID 11042011
(10S)-2,6,10-trimethyltrideca-2,6,11-triene
CID 57030104
(6E,11E)-2,6,10-trimethyltrideca-2,6,11-triene
CID 148658393
(3E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-one
CID 91460202
(6E,11E,18E)-2,6,10,19,23-pentamethyl-15-methylidenetetracosa-2,6,11,18,22-pentaene
CID 162475328
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
(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 (3S)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine?
The IUPAC name of (3S)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine (CID 123394667) is (3S)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine.
What is the SMILES notation for (3S)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine?
The canonical SMILES for (3S)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine is CCN(C=C[C@@H](C)CCC=C(C)CCC=C(C)C)CC.
What is the InChIKey of (3S)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine?
The InChIKey is JUHARBSJQFPJRH-IBGZPJMESA-N. The full InChI is InChI=1S/C19H35N/c1-7-20(8-2)16-15-19(6)14-10-13-18(5)12-9-11-17(3)4/h11,13,15-16,19H,7-10,12,14H2,1-6H3/t19-/m0/s1.
What are the key properties of (3S)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine?
(3S)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine has a molecular weight of 277.50 g/mol, XLogP of 5.95, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine is sourced from PubChem (CID 123394667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).