(1E,3E)-3,7-dimethyl-N,N-dipentylocta-1,3-dien-1-amine

C20H39N — CID 88708314

IUPAC(1E,3E)-3,7-dimethyl-N,N-dipentylocta-1,3-dien-1-amine
SMILESCCCCCN(/C=C/C(C)=C/CCC(C)C)CCCCC
InChIInChI=1S/C20H39N/c1-6-8-10-16-21(17-11-9-7-2)18-15-20(5)14-12-13-19(3)4/h14-15,18-19H,6-13,16-17H2,1-5H3/b18-15+,20-14+
InChIKeyMDHUFWFRUXUSFT-IWSLWXFRSA-N
MW293.54 g/mol
LogP6.57
Rot. Bonds13

About (1E,3E)-3,7-dimethyl-N,N-dipentylocta-1,3-dien-1-amine

(1E,3E)-3,7-dimethyl-N,N-dipentylocta-1,3-dien-1-amine (PubChem CID 88708314) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is (1E,3E)-3,7-dimethyl-N,N-dipentylocta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-3,7-dimethyl-N,N-dipentylocta-1,3-dien-1-amine
PubChem CID88708314
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC Name(1E,3E)-3,7-dimethyl-N,N-dipentylocta-1,3-dien-1-amine
SMILESCCCCCN(/C=C/C(C)=C/CCC(C)C)CCCCC
InChIInChI=1S/C20H39N/c1-6-8-10-16-21(17-11-9-7-2)18-15-20(5)14-12-13-19(3)4/h14-15,18-19H,6-13,16-17H2,1-5H3/b18-15+,20-14+
InChIKeyMDHUFWFRUXUSFT-IWSLWXFRSA-N
XLogP6.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E,3R)-N,N-diethyl-3,7-dimethyl-1,6-octadienylamine
CID 11042011
(1E,3S)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine
CID 13030152
(1E,3E)-N,N,3,7-tetramethylocta-1,3-dien-1-amine
CID 14543743
(1E,3R,6E)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine
CID 89994857
(1E,3S,6E)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine
CID 89994858
(7E)-2,8-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine
CID 14004189
N,N-diethyl-3,7-dimethylocta-1,3-dienylamine
CID 85860019
N-[(1E,3S)-3,7-dimethylocta-1,6-dienyl]-N-ethylcyclohexanamine
CID 134933133
(Z)-N-ethyl-N-(2-fluoropropyl)-9-methyl-4-methylidene-7-propan-2-ylidenedec-5-en-1-amine
CID 142340861
N,N-diethyl-3,7-dimethyl-1,6-Octadien-1-amine
CID 13030151
N-butyl-N-[2-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine
CID 23295279
N,N,3,7-tetramethylocta-1,3-dien-1-amine
CID 53702615

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-3,7-dimethyl-N,N-dipentylocta-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-3,7-dimethyl-N,N-dipentylocta-1,3-dien-1-amine (CID 88708314) is (1E,3E)-3,7-dimethyl-N,N-dipentylocta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-3,7-dimethyl-N,N-dipentylocta-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-3,7-dimethyl-N,N-dipentylocta-1,3-dien-1-amine is CCCCCN(/C=C/C(C)=C/CCC(C)C)CCCCC.
What is the InChIKey of (1E,3E)-3,7-dimethyl-N,N-dipentylocta-1,3-dien-1-amine?
The InChIKey is MDHUFWFRUXUSFT-IWSLWXFRSA-N. The full InChI is InChI=1S/C20H39N/c1-6-8-10-16-21(17-11-9-7-2)18-15-20(5)14-12-13-19(3)4/h14-15,18-19H,6-13,16-17H2,1-5H3/b18-15+,20-14+.
What are the key properties of (1E,3E)-3,7-dimethyl-N,N-dipentylocta-1,3-dien-1-amine?
(1E,3E)-3,7-dimethyl-N,N-dipentylocta-1,3-dien-1-amine has a molecular weight of 293.54 g/mol, XLogP of 6.57, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-3,7-dimethyl-N,N-dipentylocta-1,3-dien-1-amine is sourced from PubChem (CID 88708314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).