(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'}

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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).