(E)-3-(pyrrolidin-3-ylmethylimino)prop-1-en-1-amine

C8H15N3 — CID 153394096

IUPAC(E)-3-(pyrrolidin-3-ylmethylimino)prop-1-en-1-amine
SMILESN/C=C/C=N/CC1CCNC1
InChIInChI=1S/C8H15N3/c9-3-1-4-10-6-8-2-5-11-7-8/h1,3-4,8,11H,2,5-7,9H2/b3-1+,10-4+
InChIKeyPNELVKKGDUHKHM-XBHQVBRFSA-N
MW153.23 g/mol
LogP0.14
Rot. Bonds3

About (E)-3-(pyrrolidin-3-ylmethylimino)prop-1-en-1-amine

(E)-3-(pyrrolidin-3-ylmethylimino)prop-1-en-1-amine (PubChem CID 153394096) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (E)-3-(pyrrolidin-3-ylmethylimino)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-(pyrrolidin-3-ylmethylimino)prop-1-en-1-amine
PubChem CID153394096
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(E)-3-(pyrrolidin-3-ylmethylimino)prop-1-en-1-amine
SMILESN/C=C/C=N/CC1CCNC1
InChIInChI=1S/C8H15N3/c9-3-1-4-10-6-8-2-5-11-7-8/h1,3-4,8,11H,2,5-7,9H2/b3-1+,10-4+
InChIKeyPNELVKKGDUHKHM-XBHQVBRFSA-N
XLogP0.14
TPSA50.41 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 ≤ 50.14
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

3-(isothiocyanatomethyl)pyrrolidine
CID 167718144
3-ethylpyrrolidine;methanamine;(Z)-prop-1-en-1-amine
CID 143855109
(3S)-3-(azidomethyl)pyrrolidine;hydrochloride
CID 162435665
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
ethane;pyrrolidin-3-ylmethanamine
CID 142426131
(Z)-2-amino-3-pyrrolidin-3-ylprop-1-ene-1-thiol
CID 143018358
N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride
CID 23145859
ethane;3-ethylpyrrolidine
CID 143803201
2-amino-3-pyrrolidin-3-ylpropanenitrile;dihydrochloride
CID 155858423
3-but-2-enylpyrrolidine
CID 54482809
(3S)-3-pentylpyrrolidine
CID 10261191
3-(2-iodoethyl)pyrrolidine
CID 71648953

Frequently Asked Questions

What is the IUPAC name of (E)-3-(pyrrolidin-3-ylmethylimino)prop-1-en-1-amine?
The IUPAC name of (E)-3-(pyrrolidin-3-ylmethylimino)prop-1-en-1-amine (CID 153394096) is (E)-3-(pyrrolidin-3-ylmethylimino)prop-1-en-1-amine.
What is the SMILES notation for (E)-3-(pyrrolidin-3-ylmethylimino)prop-1-en-1-amine?
The canonical SMILES for (E)-3-(pyrrolidin-3-ylmethylimino)prop-1-en-1-amine is N/C=C/C=N/CC1CCNC1.
What is the InChIKey of (E)-3-(pyrrolidin-3-ylmethylimino)prop-1-en-1-amine?
The InChIKey is PNELVKKGDUHKHM-XBHQVBRFSA-N. The full InChI is InChI=1S/C8H15N3/c9-3-1-4-10-6-8-2-5-11-7-8/h1,3-4,8,11H,2,5-7,9H2/b3-1+,10-4+.
What are the key properties of (E)-3-(pyrrolidin-3-ylmethylimino)prop-1-en-1-amine?
(E)-3-(pyrrolidin-3-ylmethylimino)prop-1-en-1-amine has a molecular weight of 153.23 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(pyrrolidin-3-ylmethylimino)prop-1-en-1-amine is sourced from PubChem (CID 153394096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).