(2E)-N,N-diethylocta-2,7-dien-1-amine

C12H23N — CID 5365246

IUPAC(2E)-N,N-diethylocta-2,7-dien-1-amine
SMILESC=CCCC/C=C/CN(CC)CC
InChIInChI=1S/C12H23N/c1-4-7-8-9-10-11-12-13(5-2)6-3/h4,10-11H,1,5-9,12H2,2-3H3/b11-10+
InChIKeyZDIDSJWITLGYFN-ZHACJKMWSA-N
MW181.32 g/mol
LogP3.24
Rot. Bonds8

About (2E)-N,N-diethylocta-2,7-dien-1-amine

(2E)-N,N-diethylocta-2,7-dien-1-amine (PubChem CID 5365246) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (2E)-N,N-diethylocta-2,7-dien-1-amine.

Molecular Properties

Compound Name(2E)-N,N-diethylocta-2,7-dien-1-amine
PubChem CID5365246
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(2E)-N,N-diethylocta-2,7-dien-1-amine
SMILESC=CCCC/C=C/CN(CC)CC
InChIInChI=1S/C12H23N/c1-4-7-8-9-10-11-12-13(5-2)6-3/h4,10-11H,1,5-9,12H2,2-3H3/b11-10+
InChIKeyZDIDSJWITLGYFN-ZHACJKMWSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-Octadien-1-amine, N,N-diethyl-3,7-dimethyl-, (2E)-
CID 6390621
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
1-Propyl-1,2,3,6-tetrahydropyridine
CID 357826
1-Methyl-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridin-1-ium iodide
CID 3056866
(Z)-N,N-Diethyl-3,7-dimethylocta-2,6-dien-1-amine
CID 6243343
Diethyl-2,7-octadienylamine
CID 547134
Tris(2,7-octadienyl)amine
CID 12321498
[(2E)-3,7-dimethylocta-2,6-dienyl]-triethylazanium
CID 15584888
Farnesyldiethylamine
CID 53712838
Tri-octa-2,7-dienylamin
CID 54519738
N,N-dimethylfarnesylamine
CID 85195968

Frequently Asked Questions

What is the IUPAC name of (2E)-N,N-diethylocta-2,7-dien-1-amine?
The IUPAC name of (2E)-N,N-diethylocta-2,7-dien-1-amine (CID 5365246) is (2E)-N,N-diethylocta-2,7-dien-1-amine.
What is the SMILES notation for (2E)-N,N-diethylocta-2,7-dien-1-amine?
The canonical SMILES for (2E)-N,N-diethylocta-2,7-dien-1-amine is C=CCCC/C=C/CN(CC)CC.
What is the InChIKey of (2E)-N,N-diethylocta-2,7-dien-1-amine?
The InChIKey is ZDIDSJWITLGYFN-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H23N/c1-4-7-8-9-10-11-12-13(5-2)6-3/h4,10-11H,1,5-9,12H2,2-3H3/b11-10+.
What are the key properties of (2E)-N,N-diethylocta-2,7-dien-1-amine?
(2E)-N,N-diethylocta-2,7-dien-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,N-diethylocta-2,7-dien-1-amine is sourced from PubChem (CID 5365246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).