2,5-dihydropyrrol-1-ylmethanimine;N-methylmethanamine

C7H15N3 — CID 165119047

IUPAC2,5-dihydropyrrol-1-ylmethanimine;N-methylmethanamine
SMILESCNC.[H]/N=C/N1CC=CC1
InChIInChI=1S/C5H8N2.C2H7N/c6-5-7-3-1-2-4-7;1-3-2/h1-2,5-6H,3-4H2;3H,1-2H3/b6-5+;
InChIKeyISWKDLLAFYFPTO-IPZCTEOASA-N
MW141.22 g/mol
LogP0.30
Rot. Bonds1

About 2,5-dihydropyrrol-1-ylmethanimine;N-methylmethanamine

2,5-dihydropyrrol-1-ylmethanimine;N-methylmethanamine (PubChem CID 165119047) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 2,5-dihydropyrrol-1-ylmethanimine;N-methylmethanamine.

Molecular Properties

Compound Name2,5-dihydropyrrol-1-ylmethanimine;N-methylmethanamine
PubChem CID165119047
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name2,5-dihydropyrrol-1-ylmethanimine;N-methylmethanamine
SMILESCNC.[H]/N=C/N1CC=CC1
InChIInChI=1S/C5H8N2.C2H7N/c6-5-7-3-1-2-4-7;1-3-2/h1-2,5-6H,3-4H2;3H,1-2H3/b6-5+;
InChIKeyISWKDLLAFYFPTO-IPZCTEOASA-N
XLogP0.30
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.30
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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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydropyrrol-1-ylmethanimine;N-methylmethanamine?
The IUPAC name of 2,5-dihydropyrrol-1-ylmethanimine;N-methylmethanamine (CID 165119047) is 2,5-dihydropyrrol-1-ylmethanimine;N-methylmethanamine.
What is the SMILES notation for 2,5-dihydropyrrol-1-ylmethanimine;N-methylmethanamine?
The canonical SMILES for 2,5-dihydropyrrol-1-ylmethanimine;N-methylmethanamine is CNC.[H]/N=C/N1CC=CC1.
What is the InChIKey of 2,5-dihydropyrrol-1-ylmethanimine;N-methylmethanamine?
The InChIKey is ISWKDLLAFYFPTO-IPZCTEOASA-N. The full InChI is InChI=1S/C5H8N2.C2H7N/c6-5-7-3-1-2-4-7;1-3-2/h1-2,5-6H,3-4H2;3H,1-2H3/b6-5+;.
What are the key properties of 2,5-dihydropyrrol-1-ylmethanimine;N-methylmethanamine?
2,5-dihydropyrrol-1-ylmethanimine;N-methylmethanamine has a molecular weight of 141.22 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydropyrrol-1-ylmethanimine;N-methylmethanamine is sourced from PubChem (CID 165119047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).