(E)-3-(3-methylbut-1-en-2-ylimino)prop-1-ene-1,2-diamine

C8H15N3 — CID 89025324

IUPAC(E)-3-(3-methylbut-1-en-2-ylimino)prop-1-ene-1,2-diamine
SMILESC=C(/N=C/C(N)=C\N)C(C)C
InChIInChI=1S/C8H15N3/c1-6(2)7(3)11-5-8(10)4-9/h4-6H,3,9-10H2,1-2H3/b8-4+,11-5+
InChIKeyGLZVMXBIIMMQIJ-JNKBEKGTSA-N
MW153.23 g/mol
LogP0.99
Rot. Bonds3

About (E)-3-(3-methylbut-1-en-2-ylimino)prop-1-ene-1,2-diamine

(E)-3-(3-methylbut-1-en-2-ylimino)prop-1-ene-1,2-diamine (PubChem CID 89025324) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (E)-3-(3-methylbut-1-en-2-ylimino)prop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-3-(3-methylbut-1-en-2-ylimino)prop-1-ene-1,2-diamine
PubChem CID89025324
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(E)-3-(3-methylbut-1-en-2-ylimino)prop-1-ene-1,2-diamine
SMILESC=C(/N=C/C(N)=C\N)C(C)C
InChIInChI=1S/C8H15N3/c1-6(2)7(3)11-5-8(10)4-9/h4-6H,3,9-10H2,1-2H3/b8-4+,11-5+
InChIKeyGLZVMXBIIMMQIJ-JNKBEKGTSA-N
XLogP0.99
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methylbut-1-en-2-ylimino)prop-1-ene-1,2-diamine?
The IUPAC name of (E)-3-(3-methylbut-1-en-2-ylimino)prop-1-ene-1,2-diamine (CID 89025324) is (E)-3-(3-methylbut-1-en-2-ylimino)prop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-3-(3-methylbut-1-en-2-ylimino)prop-1-ene-1,2-diamine?
The canonical SMILES for (E)-3-(3-methylbut-1-en-2-ylimino)prop-1-ene-1,2-diamine is C=C(/N=C/C(N)=C\N)C(C)C.
What is the InChIKey of (E)-3-(3-methylbut-1-en-2-ylimino)prop-1-ene-1,2-diamine?
The InChIKey is GLZVMXBIIMMQIJ-JNKBEKGTSA-N. The full InChI is InChI=1S/C8H15N3/c1-6(2)7(3)11-5-8(10)4-9/h4-6H,3,9-10H2,1-2H3/b8-4+,11-5+.
What are the key properties of (E)-3-(3-methylbut-1-en-2-ylimino)prop-1-ene-1,2-diamine?
(E)-3-(3-methylbut-1-en-2-ylimino)prop-1-ene-1,2-diamine has a molecular weight of 153.23 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methylbut-1-en-2-ylimino)prop-1-ene-1,2-diamine is sourced from PubChem (CID 89025324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).