(4-methyliminopyrrolidin-3-ylidene)methanamine

C6H11N3 — CID 157354863

IUPAC(4-methyliminopyrrolidin-3-ylidene)methanamine
SMILESC/N=C1\CNCC1=CN
InChIInChI=1S/C6H11N3/c1-8-6-4-9-3-5(6)2-7/h2,9H,3-4,7H2,1H3/b5-2?,8-6+
InChIKeyLNWFGSAQCRNPJA-POCOARIRSA-N
MW125.17 g/mol
LogP-0.50
Rot. Bonds

About (4-methyliminopyrrolidin-3-ylidene)methanamine

(4-methyliminopyrrolidin-3-ylidene)methanamine (PubChem CID 157354863) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (4-methyliminopyrrolidin-3-ylidene)methanamine.

Molecular Properties

Compound Name(4-methyliminopyrrolidin-3-ylidene)methanamine
PubChem CID157354863
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(4-methyliminopyrrolidin-3-ylidene)methanamine
SMILESC/N=C1\CNCC1=CN
InChIInChI=1S/C6H11N3/c1-8-6-4-9-3-5(6)2-7/h2,9H,3-4,7H2,1H3/b5-2?,8-6+
InChIKeyLNWFGSAQCRNPJA-POCOARIRSA-N
XLogP-0.50
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (4-methyliminopyrrolidin-3-ylidene)methanamine?
The IUPAC name of (4-methyliminopyrrolidin-3-ylidene)methanamine (CID 157354863) is (4-methyliminopyrrolidin-3-ylidene)methanamine.
What is the SMILES notation for (4-methyliminopyrrolidin-3-ylidene)methanamine?
The canonical SMILES for (4-methyliminopyrrolidin-3-ylidene)methanamine is C/N=C1\CNCC1=CN.
What is the InChIKey of (4-methyliminopyrrolidin-3-ylidene)methanamine?
The InChIKey is LNWFGSAQCRNPJA-POCOARIRSA-N. The full InChI is InChI=1S/C6H11N3/c1-8-6-4-9-3-5(6)2-7/h2,9H,3-4,7H2,1H3/b5-2?,8-6+.
What are the key properties of (4-methyliminopyrrolidin-3-ylidene)methanamine?
(4-methyliminopyrrolidin-3-ylidene)methanamine has a molecular weight of 125.17 g/mol, XLogP of -0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyliminopyrrolidin-3-ylidene)methanamine is sourced from PubChem (CID 157354863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).