(1E)-N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine

C28H54N2 — CID 159412930

IUPAC(1E)-N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine
SMILESC=CC(C)(C)CC(C)/C=C/N(CC)CC.C=CC(C)(C)CC(C)/C=C/N(CC)CC
InChIInChI=1S/2C14H27N/c2*1-7-14(5,6)12-13(4)10-11-15(8-2)9-3/h2*7,10-11,13H,1,8-9,12H2,2-6H3/b2*11-10+
InChIKeyLOUNURNMQDCAFD-YFGZYSTASA-N
MW418.75 g/mol
LogP8.16
Rot. Bonds14

About (1E)-N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine

(1E)-N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine (PubChem CID 159412930) has the molecular formula C28H54N2 and a molecular weight of 418.75 g/mol. Its IUPAC name is (1E)-N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine.

Molecular Properties

Compound Name(1E)-N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine
PubChem CID159412930
Molecular FormulaC28H54N2
Molecular Weight418.75 g/mol
Exact Mass418.43
IUPAC Name(1E)-N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine
SMILESC=CC(C)(C)CC(C)/C=C/N(CC)CC.C=CC(C)(C)CC(C)/C=C/N(CC)CC
InChIInChI=1S/2C14H27N/c2*1-7-14(5,6)12-13(4)10-11-15(8-2)9-3/h2*7,10-11,13H,1,8-9,12H2,2-6H3/b2*11-10+
InChIKeyLOUNURNMQDCAFD-YFGZYSTASA-N
XLogP8.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.75
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E)-N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N,N-diethyl-3-methylbut-1-en-1-amine;hydrochloride
CID 155386365
N,N-diethyl-7-methoxy-3,7-dimethyloct-1-en-1-amine
CID 88680595
(3R)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-1-en-1-amine
CID 54528175
(1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine
CID 11042011
(E)-N,N,3,5,5-pentamethylhex-1-en-1-amine
CID 134933360
3,3,6-trimethyloct-1-ene
CID 123906537
3,3-dimethylpent-1-ene;ethane
CID 142059460
N-[2,2-dimethylbut-3-enyl(methyl)boranyl]-N-(4,4-dimethylhex-5-en-2-yl)-2,4,4-trimethylhex-5-en-2-amine
CID 174195812
N-ethenyl-N,3-dimethylpent-1-en-1-amine
CID 123257858
(3E)-2,7,7-trimethylnona-1,3,8-trien-5-ol
CID 14893880
(Z)-N-ethenyl-N-ethyl-3,4-dimethylpent-1-en-1-amine
CID 167218040
3,3,6,7,8-pentamethylnon-1-ene
CID 123898570

Frequently Asked Questions

What is the IUPAC name of (1E)-N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine?
The IUPAC name of (1E)-N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine (CID 159412930) is (1E)-N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine.
What is the SMILES notation for (1E)-N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine?
The canonical SMILES for (1E)-N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine is C=CC(C)(C)CC(C)/C=C/N(CC)CC.C=CC(C)(C)CC(C)/C=C/N(CC)CC.
What is the InChIKey of (1E)-N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine?
The InChIKey is LOUNURNMQDCAFD-YFGZYSTASA-N. The full InChI is InChI=1S/2C14H27N/c2*1-7-14(5,6)12-13(4)10-11-15(8-2)9-3/h2*7,10-11,13H,1,8-9,12H2,2-6H3/b2*11-10+.
What are the key properties of (1E)-N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine?
(1E)-N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine has a molecular weight of 418.75 g/mol, XLogP of 8.16, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine is sourced from PubChem (CID 159412930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).