2-(1-methanimidoyl-2,5-dihydropyrrol-3-yl)-N-methylethanamine

C8H15N3 — CID 142256094

IUPAC2-(1-methanimidoyl-2,5-dihydropyrrol-3-yl)-N-methylethanamine
SMILES[H]/N=C/N1CC=C(CCNC)C1
InChIInChI=1S/C8H15N3/c1-10-4-2-8-3-5-11(6-8)7-9/h3,7,9-10H,2,4-6H2,1H3/b9-7+
InChIKeyBMOSKOAUWPLHOF-VQHVLOKHSA-N
MW153.23 g/mol
LogP0.44
Rot. Bonds4

About 2-(1-methanimidoyl-2,5-dihydropyrrol-3-yl)-N-methylethanamine

2-(1-methanimidoyl-2,5-dihydropyrrol-3-yl)-N-methylethanamine (PubChem CID 142256094) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(1-methanimidoyl-2,5-dihydropyrrol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1-methanimidoyl-2,5-dihydropyrrol-3-yl)-N-methylethanamine
PubChem CID142256094
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-(1-methanimidoyl-2,5-dihydropyrrol-3-yl)-N-methylethanamine
SMILES[H]/N=C/N1CC=C(CCNC)C1
InChIInChI=1S/C8H15N3/c1-10-4-2-8-3-5-11(6-8)7-9/h3,7,9-10H,2,4-6H2,1H3/b9-7+
InChIKeyBMOSKOAUWPLHOF-VQHVLOKHSA-N
XLogP0.44
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2-Aminoethyl)-2,5-dihydropyrrole-1-carboximidamide
CID 22325991
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanimine
CID 69078729
[2-(1-Carbamimidoyl-2,5-dihydropyrrol-3-yl)ethylamino]methylidyneoxidanium
CID 90763509
Methanamine;2-(1-methanimidoyl-2,5-dihydropyrrol-3-yl)ethanamine
CID 141869089
N-[(Z)-2-ethylbut-2-enyl]-N-(3-methylbutyl)methanimidamide
CID 154986395
(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methanimine
CID 173137642
2-(1-Methanimidoyl-2,5-dihydropyrrol-3-yl)ethanamine
CID 141869090
3-[2-(Methylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide
CID 142256089

Frequently Asked Questions

What is the IUPAC name of 2-(1-methanimidoyl-2,5-dihydropyrrol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(1-methanimidoyl-2,5-dihydropyrrol-3-yl)-N-methylethanamine (CID 142256094) is 2-(1-methanimidoyl-2,5-dihydropyrrol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1-methanimidoyl-2,5-dihydropyrrol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(1-methanimidoyl-2,5-dihydropyrrol-3-yl)-N-methylethanamine is [H]/N=C/N1CC=C(CCNC)C1.
What is the InChIKey of 2-(1-methanimidoyl-2,5-dihydropyrrol-3-yl)-N-methylethanamine?
The InChIKey is BMOSKOAUWPLHOF-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15N3/c1-10-4-2-8-3-5-11(6-8)7-9/h3,7,9-10H,2,4-6H2,1H3/b9-7+.
What are the key properties of 2-(1-methanimidoyl-2,5-dihydropyrrol-3-yl)-N-methylethanamine?
2-(1-methanimidoyl-2,5-dihydropyrrol-3-yl)-N-methylethanamine has a molecular weight of 153.23 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methanimidoyl-2,5-dihydropyrrol-3-yl)-N-methylethanamine is sourced from PubChem (CID 142256094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).