(E)-1-ethenylimino-N-propan-2-ylbut-2-en-2-amine

C9H16N2 — CID 142451884

IUPAC(E)-1-ethenylimino-N-propan-2-ylbut-2-en-2-amine
SMILESC=C/N=C/C(=C\C)NC(C)C
InChIInChI=1S/C9H16N2/c1-5-9(7-10-6-2)11-8(3)4/h5-8,11H,2H2,1,3-4H3/b9-5+,10-7+
InChIKeyZOCAQOHFGZGAJL-FWMCCXIMSA-N
MW152.24 g/mol
LogP2.10
Rot. Bonds4

About (E)-1-ethenylimino-N-propan-2-ylbut-2-en-2-amine

(E)-1-ethenylimino-N-propan-2-ylbut-2-en-2-amine (PubChem CID 142451884) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (E)-1-ethenylimino-N-propan-2-ylbut-2-en-2-amine.

Molecular Properties

Compound Name(E)-1-ethenylimino-N-propan-2-ylbut-2-en-2-amine
PubChem CID142451884
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(E)-1-ethenylimino-N-propan-2-ylbut-2-en-2-amine
SMILESC=C/N=C/C(=C\C)NC(C)C
InChIInChI=1S/C9H16N2/c1-5-9(7-10-6-2)11-8(3)4/h5-8,11H,2H2,1,3-4H3/b9-5+,10-7+
InChIKeyZOCAQOHFGZGAJL-FWMCCXIMSA-N
XLogP2.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-1-ethenylimino-N-propan-2-ylbut-2-en-2-amine?
The IUPAC name of (E)-1-ethenylimino-N-propan-2-ylbut-2-en-2-amine (CID 142451884) is (E)-1-ethenylimino-N-propan-2-ylbut-2-en-2-amine.
What is the SMILES notation for (E)-1-ethenylimino-N-propan-2-ylbut-2-en-2-amine?
The canonical SMILES for (E)-1-ethenylimino-N-propan-2-ylbut-2-en-2-amine is C=C/N=C/C(=C\C)NC(C)C.
What is the InChIKey of (E)-1-ethenylimino-N-propan-2-ylbut-2-en-2-amine?
The InChIKey is ZOCAQOHFGZGAJL-FWMCCXIMSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-9(7-10-6-2)11-8(3)4/h5-8,11H,2H2,1,3-4H3/b9-5+,10-7+.
What are the key properties of (E)-1-ethenylimino-N-propan-2-ylbut-2-en-2-amine?
(E)-1-ethenylimino-N-propan-2-ylbut-2-en-2-amine has a molecular weight of 152.24 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethenylimino-N-propan-2-ylbut-2-en-2-amine is sourced from PubChem (CID 142451884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).