N'-(2,4-dimethylpenta-2,3-dienyl)ethane-1,2-diamine

C9H18N2 — CID 89008822

IUPACN'-(2,4-dimethylpenta-2,3-dienyl)ethane-1,2-diamine
SMILESCC(C)=C=C(C)CNCCN
InChIInChI=1S/C9H18N2/c1-8(2)6-9(3)7-11-5-4-10/h11H,4-5,7,10H2,1-3H3
InChIKeyNEHYWRFPELXPFC-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.05
Rot. Bonds4

About N'-(2,4-dimethylpenta-2,3-dienyl)ethane-1,2-diamine

N'-(2,4-dimethylpenta-2,3-dienyl)ethane-1,2-diamine (PubChem CID 89008822) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-(2,4-dimethylpenta-2,3-dienyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,4-dimethylpenta-2,3-dienyl)ethane-1,2-diamine
PubChem CID89008822
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-(2,4-dimethylpenta-2,3-dienyl)ethane-1,2-diamine
SMILESCC(C)=C=C(C)CNCCN
InChIInChI=1S/C9H18N2/c1-8(2)6-9(3)7-11-5-4-10/h11H,4-5,7,10H2,1-3H3
InChIKeyNEHYWRFPELXPFC-UHFFFAOYSA-N
XLogP1.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(2,4-dimethylpenta-2,3-dienyl)ethane-1,2-diamine 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

1,2-Ethanediamine, N,N'-bis(2-methylpropyl)-
CID 469900
N1-(2-methyl-2-propenyl)-1,2-ethanediamine
CID 224772
(2S)-1-N-(2-methylprop-2-enyl)propane-1,2-diamine
CID 10011916
N,N'-diethyl-2-methylidenepropane-1,3-diamine
CID 12427675
1-(2,3-Dimethylbut-2-enyl)piperazine
CID 20521849
N,N'-bis(2,2-dimethylpropyl)ethane-1,2-diamine
CID 20817992
N-methyl-N'-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 55287143
1-N-(2-methylprop-2-enyl)propane-1,2-diamine
CID 56979478
N',N'-dimethyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 60686491
N'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine
CID 61168461
N-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 61810115
N'-(2-methylpropyl)-N-propylethane-1,2-diamine
CID 61810318

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylpenta-2,3-dienyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,4-dimethylpenta-2,3-dienyl)ethane-1,2-diamine (CID 89008822) is N'-(2,4-dimethylpenta-2,3-dienyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,4-dimethylpenta-2,3-dienyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,4-dimethylpenta-2,3-dienyl)ethane-1,2-diamine is CC(C)=C=C(C)CNCCN.
What is the InChIKey of N'-(2,4-dimethylpenta-2,3-dienyl)ethane-1,2-diamine?
The InChIKey is NEHYWRFPELXPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)6-9(3)7-11-5-4-10/h11H,4-5,7,10H2,1-3H3.
What are the key properties of N'-(2,4-dimethylpenta-2,3-dienyl)ethane-1,2-diamine?
N'-(2,4-dimethylpenta-2,3-dienyl)ethane-1,2-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethylpenta-2,3-dienyl)ethane-1,2-diamine is sourced from PubChem (CID 89008822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).