(2E,6E)-N-ethyl-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine

C32H55N — CID 10343922

IUPAC(2E,6E)-N-ethyl-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine
SMILESCCN(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C32H55N/c1-10-33(25-23-31(8)21-13-19-29(6)17-11-15-27(2)3)26-24-32(9)22-14-20-30(7)18-12-16-28(4)5/h15-16,19-20,23-24H,10-14,17-18,21-22,25-26H2,1-9H3/b29-19+,30-20+,31-23+,32-24+
InChIKeyHFHJHTBFRUVYIO-UDUBSFCQSA-N
MW453.80 g/mol
LogP10.15
Rot. Bonds17

About (2E,6E)-N-ethyl-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine

(2E,6E)-N-ethyl-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine (PubChem CID 10343922) has the molecular formula C32H55N and a molecular weight of 453.80 g/mol. Its IUPAC name is (2E,6E)-N-ethyl-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine.

Molecular Properties

Compound Name(2E,6E)-N-ethyl-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine
PubChem CID10343922
Molecular FormulaC32H55N
Molecular Weight453.80 g/mol
Exact Mass453.43
IUPAC Name(2E,6E)-N-ethyl-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine
SMILESCCN(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C32H55N/c1-10-33(25-23-31(8)21-13-19-29(6)17-11-15-27(2)3)26-24-32(9)22-14-20-30(7)18-12-16-28(4)5/h15-16,19-20,23-24H,10-14,17-18,21-22,25-26H2,1-9H3/b29-19+,30-20+,31-23+,32-24+
InChIKeyHFHJHTBFRUVYIO-UDUBSFCQSA-N
XLogP10.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.80
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,6E)-N-ethyl-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine with MolForge

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Related Compounds

2,6-Octadien-1-amine, N,N-diethyl-3,7-dimethyl-, (2E)-
CID 6390621
(4e,8e,12z,16z)-N,N,4,8,13,17,21-Heptamethyldocosa-4,8,12,16,20-Pentaen-1-Amine
CID 448904
2,6,10-Dodecatrienylamine, N-allyl-N,3,7,11-tetramethyl
CID 6434915
n,n-Diethyl-3.7-dimethyl-2.6-octadiene-1-amine
CID 324495
2,6,10-Dodecatrien-1-amine, N,3,7,11-tetramethyl-N-2-propynyl-, (E,E)-
CID 6366858
Piperazine, 1,4-bis(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446208
2,6,10-Dodecatrien-1-amine, N,3,7,11-tetramethyl-N-2-propynyl-, (Z,Z)-
CID 6446209
2,6,10-Dodecatrien-1-amine, N,3,7,11-tetramethyl-N-2-propynyl-, (E,Z)-
CID 6446212
2-Aza-2-dihydrosqualene
CID 6439791
N,N-Diethylazasqualene
CID 6439792
(Z)-N,N-Diethyl-3,7-dimethylocta-2,6-dien-1-amine
CID 6243343
N-(2,7-dimethyl-2,7-octadienyl)-N,N-dimethyl-amine
CID 547034

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-N-ethyl-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine?
The IUPAC name of (2E,6E)-N-ethyl-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine (CID 10343922) is (2E,6E)-N-ethyl-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine.
What is the SMILES notation for (2E,6E)-N-ethyl-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine?
The canonical SMILES for (2E,6E)-N-ethyl-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine is CCN(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E,6E)-N-ethyl-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine?
The InChIKey is HFHJHTBFRUVYIO-UDUBSFCQSA-N. The full InChI is InChI=1S/C32H55N/c1-10-33(25-23-31(8)21-13-19-29(6)17-11-15-27(2)3)26-24-32(9)22-14-20-30(7)18-12-16-28(4)5/h15-16,19-20,23-24H,10-14,17-18,21-22,25-26H2,1-9H3/b29-19+,30-20+,31-23+,32-24+.
What are the key properties of (2E,6E)-N-ethyl-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine?
(2E,6E)-N-ethyl-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine has a molecular weight of 453.80 g/mol, XLogP of 10.15, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-N-ethyl-3,7,11-trimethyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodeca-2,6,10-trien-1-amine is sourced from PubChem (CID 10343922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).