(3Z,8Z)-N-ethyl-N,2,5,5,7,7,10,10,12,12-decamethyltrideca-3,8-dien-2-amine

C25H49N — CID 167093294

IUPAC(3Z,8Z)-N-ethyl-N,2,5,5,7,7,10,10,12,12-decamethyltrideca-3,8-dien-2-amine
SMILESCCN(C)C(C)(C)/C=C\C(C)(C)CC(C)(C)/C=C\C(C)(C)CC(C)(C)C
InChIInChI=1S/C25H49N/c1-14-26(13)25(11,12)18-17-24(9,10)20-23(7,8)16-15-22(5,6)19-21(2,3)4/h15-18H,14,19-20H2,1-13H3/b16-15-,18-17-
InChIKeyOAHFDWAGZBTTDW-IUILNFPDSA-N
MW363.67 g/mol
LogP7.73
Rot. Bonds9

About (3Z,8Z)-N-ethyl-N,2,5,5,7,7,10,10,12,12-decamethyltrideca-3,8-dien-2-amine

(3Z,8Z)-N-ethyl-N,2,5,5,7,7,10,10,12,12-decamethyltrideca-3,8-dien-2-amine (PubChem CID 167093294) has the molecular formula C25H49N and a molecular weight of 363.67 g/mol. Its IUPAC name is (3Z,8Z)-N-ethyl-N,2,5,5,7,7,10,10,12,12-decamethyltrideca-3,8-dien-2-amine.

Molecular Properties

Compound Name(3Z,8Z)-N-ethyl-N,2,5,5,7,7,10,10,12,12-decamethyltrideca-3,8-dien-2-amine
PubChem CID167093294
Molecular FormulaC25H49N
Molecular Weight363.67 g/mol
Exact Mass363.39
IUPAC Name(3Z,8Z)-N-ethyl-N,2,5,5,7,7,10,10,12,12-decamethyltrideca-3,8-dien-2-amine
SMILESCCN(C)C(C)(C)/C=C\C(C)(C)CC(C)(C)/C=C\C(C)(C)CC(C)(C)C
InChIInChI=1S/C25H49N/c1-14-26(13)25(11,12)18-17-24(9,10)20-23(7,8)16-15-22(5,6)19-21(2,3)4/h15-18H,14,19-20H2,1-13H3/b16-15-,18-17-
InChIKeyOAHFDWAGZBTTDW-IUILNFPDSA-N
XLogP7.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.67
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,8Z)-N-ethyl-N,2,5,5,7,7,10,10,12,12-decamethyltrideca-3,8-dien-2-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3Z,8Z)-N-ethyl-N,2,5,5,7,7,10,10,12,12-decamethyltrideca-3,8-dien-2-amine?
The IUPAC name of (3Z,8Z)-N-ethyl-N,2,5,5,7,7,10,10,12,12-decamethyltrideca-3,8-dien-2-amine (CID 167093294) is (3Z,8Z)-N-ethyl-N,2,5,5,7,7,10,10,12,12-decamethyltrideca-3,8-dien-2-amine.
What is the SMILES notation for (3Z,8Z)-N-ethyl-N,2,5,5,7,7,10,10,12,12-decamethyltrideca-3,8-dien-2-amine?
The canonical SMILES for (3Z,8Z)-N-ethyl-N,2,5,5,7,7,10,10,12,12-decamethyltrideca-3,8-dien-2-amine is CCN(C)C(C)(C)/C=C\C(C)(C)CC(C)(C)/C=C\C(C)(C)CC(C)(C)C.
What is the InChIKey of (3Z,8Z)-N-ethyl-N,2,5,5,7,7,10,10,12,12-decamethyltrideca-3,8-dien-2-amine?
The InChIKey is OAHFDWAGZBTTDW-IUILNFPDSA-N. The full InChI is InChI=1S/C25H49N/c1-14-26(13)25(11,12)18-17-24(9,10)20-23(7,8)16-15-22(5,6)19-21(2,3)4/h15-18H,14,19-20H2,1-13H3/b16-15-,18-17-.
What are the key properties of (3Z,8Z)-N-ethyl-N,2,5,5,7,7,10,10,12,12-decamethyltrideca-3,8-dien-2-amine?
(3Z,8Z)-N-ethyl-N,2,5,5,7,7,10,10,12,12-decamethyltrideca-3,8-dien-2-amine has a molecular weight of 363.67 g/mol, XLogP of 7.73, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,8Z)-N-ethyl-N,2,5,5,7,7,10,10,12,12-decamethyltrideca-3,8-dien-2-amine is sourced from PubChem (CID 167093294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).