(E)-4-[amino(ethyl)amino]-N,3-dimethylbut-2-en-1-imine

C8H17N3 — CID 129313336

IUPAC(E)-4-[amino(ethyl)amino]-N,3-dimethylbut-2-en-1-imine
SMILESCCN(N)C/C(C)=C/C=N/C
InChIInChI=1S/C8H17N3/c1-4-11(9)7-8(2)5-6-10-3/h5-6H,4,7,9H2,1-3H3/b8-5+,10-6+
InChIKeyDVPGQEPPNCFKMA-YLDLMLGBSA-N
MW155.25 g/mol
LogP0.83
Rot. Bonds4

About (E)-4-[amino(ethyl)amino]-N,3-dimethylbut-2-en-1-imine

(E)-4-[amino(ethyl)amino]-N,3-dimethylbut-2-en-1-imine (PubChem CID 129313336) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is (E)-4-[amino(ethyl)amino]-N,3-dimethylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-4-[amino(ethyl)amino]-N,3-dimethylbut-2-en-1-imine
PubChem CID129313336
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name(E)-4-[amino(ethyl)amino]-N,3-dimethylbut-2-en-1-imine
SMILESCCN(N)C/C(C)=C/C=N/C
InChIInChI=1S/C8H17N3/c1-4-11(9)7-8(2)5-6-10-3/h5-6H,4,7,9H2,1-3H3/b8-5+,10-6+
InChIKeyDVPGQEPPNCFKMA-YLDLMLGBSA-N
XLogP0.83
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-4-[amino(ethyl)amino]-N,3-dimethylbut-2-en-1-imine 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

N,3-dimethylbut-2-en-1-imine;propane
CID 163403492
(2Z,4E)-N,3,5-trimethylhepta-2,4-dien-1-imine
CID 170225424
(Z)-1-methyliminopent-2-en-3-amine
CID 129017150
(Z)-N,3-dimethyl-N'-methylidenepent-2-ene-1,5-diimine
CID 163421984
N-benzyl-2-chloro-N-[(E)-2-methyl-4-methyliminobut-2-enyl]acetamide
CID 145121244
ethyl (E)-4-methylimino-2-prop-1-en-2-ylbut-2-enoate
CID 145264126
1,1-diethylhydrazine;ethene
CID 87605670
(2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine
CID 143116223
(2E,5E)-5-bromo-N-[(2R)-butan-2-yl]-2-methyl-4-methylidene-7-methylimino-N-propylhepta-2,5-dien-1-amine
CID 177355299
4,4-dimethyl-1-methyliminopent-2-en-3-amine
CID 163879852
(2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine
CID 166983281
N-[(Z)-3-amino-5-methyliminopent-3-en-2-yl]hydroxylamine
CID 168886817

Frequently Asked Questions

What is the IUPAC name of (E)-4-[amino(ethyl)amino]-N,3-dimethylbut-2-en-1-imine?
The IUPAC name of (E)-4-[amino(ethyl)amino]-N,3-dimethylbut-2-en-1-imine (CID 129313336) is (E)-4-[amino(ethyl)amino]-N,3-dimethylbut-2-en-1-imine.
What is the SMILES notation for (E)-4-[amino(ethyl)amino]-N,3-dimethylbut-2-en-1-imine?
The canonical SMILES for (E)-4-[amino(ethyl)amino]-N,3-dimethylbut-2-en-1-imine is CCN(N)C/C(C)=C/C=N/C.
What is the InChIKey of (E)-4-[amino(ethyl)amino]-N,3-dimethylbut-2-en-1-imine?
The InChIKey is DVPGQEPPNCFKMA-YLDLMLGBSA-N. The full InChI is InChI=1S/C8H17N3/c1-4-11(9)7-8(2)5-6-10-3/h5-6H,4,7,9H2,1-3H3/b8-5+,10-6+.
What are the key properties of (E)-4-[amino(ethyl)amino]-N,3-dimethylbut-2-en-1-imine?
(E)-4-[amino(ethyl)amino]-N,3-dimethylbut-2-en-1-imine has a molecular weight of 155.25 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[amino(ethyl)amino]-N,3-dimethylbut-2-en-1-imine is sourced from PubChem (CID 129313336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).