N,N-diethylhexa-2,4-dien-3-amine

C10H19N — CID 76600283

IUPACN,N-diethylhexa-2,4-dien-3-amine
SMILESCC=CC(=CC)N(CC)CC
InChIInChI=1S/C10H19N/c1-5-9-10(6-2)11(7-3)8-4/h5-6,9H,7-8H2,1-4H3
InChIKeyDODGZOGBGJWXPL-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.81
Rot. Bonds4

About N,N-diethylhexa-2,4-dien-3-amine

N,N-diethylhexa-2,4-dien-3-amine (PubChem CID 76600283) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N,N-diethylhexa-2,4-dien-3-amine.

Molecular Properties

Compound NameN,N-diethylhexa-2,4-dien-3-amine
PubChem CID76600283
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN,N-diethylhexa-2,4-dien-3-amine
SMILESCC=CC(=CC)N(CC)CC
InChIInChI=1S/C10H19N/c1-5-9-10(6-2)11(7-3)8-4/h5-6,9H,7-8H2,1-4H3
InChIKeyDODGZOGBGJWXPL-UHFFFAOYSA-N
XLogP2.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-diethylhexa-2,4-dien-3-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

Pyridine, 2-(1Z)-1-buten-1-yl-
CID 56972623
[p-(Dimethylamino)phenyl]lithium
CID 83217
Lithium 2-(dimethylamino)benzen-1-ide
CID 12620685
N-methyl-2-methylidenepyridine
CID 14963017
N-isopropylpyridine
CID 18505181
1,2,7-Trimethylazepine
CID 21766428
6-ethenyl-1-methyl-2H-pyridine
CID 22719088
1-Butyl-4-(dimethylamino)pyridine
CID 23048244
N-methyl-2,5-dimethylene-2,5-dihydropyrrole
CID 23381921
3-Dimethylaminophenylsodium
CID 137350226
3-fluoro-N,N-dimethylhexa-1,3,5-trien-2-amine
CID 123814892
(3E,5Z)-N-but-3-enyl-6-fluoro-N-methylhexa-1,3,5-trien-2-amine
CID 124175129

Frequently Asked Questions

What is the IUPAC name of N,N-diethylhexa-2,4-dien-3-amine?
The IUPAC name of N,N-diethylhexa-2,4-dien-3-amine (CID 76600283) is N,N-diethylhexa-2,4-dien-3-amine.
What is the SMILES notation for N,N-diethylhexa-2,4-dien-3-amine?
The canonical SMILES for N,N-diethylhexa-2,4-dien-3-amine is CC=CC(=CC)N(CC)CC.
What is the InChIKey of N,N-diethylhexa-2,4-dien-3-amine?
The InChIKey is DODGZOGBGJWXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-5-9-10(6-2)11(7-3)8-4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of N,N-diethylhexa-2,4-dien-3-amine?
N,N-diethylhexa-2,4-dien-3-amine has a molecular weight of 153.27 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylhexa-2,4-dien-3-amine is sourced from PubChem (CID 76600283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).