(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine

C9H17N3 — CID 144740191

IUPAC(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine
SMILESC/N=C(\C=C(/C)N)C1CCNC1
InChIInChI=1S/C9H17N3/c1-7(10)5-9(11-2)8-3-4-12-6-8/h5,8,12H,3-4,6,10H2,1-2H3/b7-5+,11-9+
InChIKeyOLIWXFOZPRDXFU-JEGFTUTRSA-N
MW167.26 g/mol
LogP0.53
Rot. Bonds2

About (E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine

(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine (PubChem CID 144740191) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine.

Molecular Properties

Compound Name(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine
PubChem CID144740191
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine
SMILESC/N=C(\C=C(/C)N)C1CCNC1
InChIInChI=1S/C9H17N3/c1-7(10)5-9(11-2)8-3-4-12-6-8/h5,8,12H,3-4,6,10H2,1-2H3/b7-5+,11-9+
InChIKeyOLIWXFOZPRDXFU-JEGFTUTRSA-N
XLogP0.53
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cyclohex-1-ene, 1-ethylamino-3-ethylimino-5,5-dimethyl-
CID 130849495
Pyrrolidine, 4,4-dimethyl-2-(4,4,5-trimethyl-1-pyrrolin-2-yl)methylene-
CID 171384716
Tetrahydropyrrolo[2,3-d]azocine
CID 129733348
5-(4,5-Dihydro-3H-pyrrol-2-ylmethylene)-4,4-dimethylpyrrolidine-2-thione
CID 5375878
((1Z)-1-Methyl-2-(1-pyrrolin-2-yl)vinyl)(2-methylpropyl)amine
CID 11412728
N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine
CID 29925431
2-(3,4-dihydro-2H-pyrrol-1-ium-5-ylmethylidene)pyrrolidine
CID 60077816
2-(Pyrrolidin-2-ylidenemethyl)-1-Pyrroline
CID 60077817
(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)-N-ethylprop-1-en-2-amine
CID 68983220
[2-(4,5-Dihydro-3H-pyrrol-2-yl)-1-methyl-vinyl]-ethyl-amine
CID 68983223
6-[(Pyrrolidin-2-ylidene)methyl]-2,3,4,5-tetrahydropyridine
CID 68986659
5-[(E)-pyrrolidin-2-ylidenemethyl]-3,4-dihydro-2H-pyrrole
CID 68988836

Frequently Asked Questions

What is the IUPAC name of (E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine?
The IUPAC name of (E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine (CID 144740191) is (E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine.
What is the SMILES notation for (E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine?
The canonical SMILES for (E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine is C/N=C(\C=C(/C)N)C1CCNC1.
What is the InChIKey of (E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine?
The InChIKey is OLIWXFOZPRDXFU-JEGFTUTRSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(10)5-9(11-2)8-3-4-12-6-8/h5,8,12H,3-4,6,10H2,1-2H3/b7-5+,11-9+.
What are the key properties of (E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine?
(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine has a molecular weight of 167.26 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine is sourced from PubChem (CID 144740191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).