4-ethyl-3,6,7,8,10-pentamethyldodeca-2,8-dien-5-amine

C19H37N — CID 91223281

IUPAC4-ethyl-3,6,7,8,10-pentamethyldodeca-2,8-dien-5-amine
SMILESCC=C(C)C(CC)C(N)C(C)C(C)C(C)=CC(C)CC
InChIInChI=1S/C19H37N/c1-9-13(4)12-15(6)16(7)17(8)19(20)18(11-3)14(5)10-2/h10,12-13,16-19H,9,11,20H2,1-8H3
InChIKeyVWKJJXNVHJMCOJ-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.57
Rot. Bonds8

About 4-ethyl-3,6,7,8,10-pentamethyldodeca-2,8-dien-5-amine

4-ethyl-3,6,7,8,10-pentamethyldodeca-2,8-dien-5-amine (PubChem CID 91223281) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is 4-ethyl-3,6,7,8,10-pentamethyldodeca-2,8-dien-5-amine.

Molecular Properties

Compound Name4-ethyl-3,6,7,8,10-pentamethyldodeca-2,8-dien-5-amine
PubChem CID91223281
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name4-ethyl-3,6,7,8,10-pentamethyldodeca-2,8-dien-5-amine
SMILESCC=C(C)C(CC)C(N)C(C)C(C)C(C)=CC(C)CC
InChIInChI=1S/C19H37N/c1-9-13(4)12-15(6)16(7)17(8)19(20)18(11-3)14(5)10-2/h10,12-13,16-19H,9,11,20H2,1-8H3
InChIKeyVWKJJXNVHJMCOJ-UHFFFAOYSA-N
XLogP5.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Menthenamine
CID 129691874
gamma,4-Dimethylcyclohexene-1-propan-1-amine
CID 13574688
(4E,10E,12E)-15-fluoro-2,4,6,8,10,16-hexamethylheptadeca-2,4,10,12-tetraen-7-amine
CID 89090365
4-Ethyl-2-fluoro-5-methylcyclohex-3-en-1-amine
CID 89749912
1-(Cyclopenten-1-yl)-1-fluoro-3-methylpentan-2-amine
CID 91802558
6-[4-(7-fluorononyl)-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]hexan-1-amine
CID 135225512
7-Ethenyl-6-(2-fluoropropan-2-yl)-8-methyl-4-(2-methylpropyl)decan-3-amine
CID 138740119
(E)-6,11-diethyl-1,1,1-trifluoro-8-methyltridec-8-en-3-amine
CID 143703538
(10Z,13E)-10-[(Z)-1,2-difluoroethenyl]-5,6,9-trimethylpentadeca-10,13-dien-2-amine
CID 144405281
(7E,9E)-10,11-difluoro-2,3,7-trimethyl-5-(5-methylhexan-3-yl)undeca-7,9-dien-1-amine
CID 146492450

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,6,7,8,10-pentamethyldodeca-2,8-dien-5-amine?
The IUPAC name of 4-ethyl-3,6,7,8,10-pentamethyldodeca-2,8-dien-5-amine (CID 91223281) is 4-ethyl-3,6,7,8,10-pentamethyldodeca-2,8-dien-5-amine.
What is the SMILES notation for 4-ethyl-3,6,7,8,10-pentamethyldodeca-2,8-dien-5-amine?
The canonical SMILES for 4-ethyl-3,6,7,8,10-pentamethyldodeca-2,8-dien-5-amine is CC=C(C)C(CC)C(N)C(C)C(C)C(C)=CC(C)CC.
What is the InChIKey of 4-ethyl-3,6,7,8,10-pentamethyldodeca-2,8-dien-5-amine?
The InChIKey is VWKJJXNVHJMCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-9-13(4)12-15(6)16(7)17(8)19(20)18(11-3)14(5)10-2/h10,12-13,16-19H,9,11,20H2,1-8H3.
What are the key properties of 4-ethyl-3,6,7,8,10-pentamethyldodeca-2,8-dien-5-amine?
4-ethyl-3,6,7,8,10-pentamethyldodeca-2,8-dien-5-amine has a molecular weight of 279.51 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,6,7,8,10-pentamethyldodeca-2,8-dien-5-amine is sourced from PubChem (CID 91223281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).