(4-methyliminopyrrolidin-1-ium-3-yl)methylazanium

C6H15N3+2 — CID 20633763

IUPAC(4-methyliminopyrrolidin-1-ium-3-yl)methylazanium
SMILESC/N=C1\C[NH2+]CC1C[NH3+]
InChIInChI=1S/C6H13N3/c1-8-6-4-9-3-5(6)2-7/h5,9H,2-4,7H2,1H3/p+2/b8-6+
InChIKeyMALQYVMYKLHFQO-SOFGYWHQSA-P
MW129.21 g/mol
LogP-2.51
Rot. Bonds1

About (4-methyliminopyrrolidin-1-ium-3-yl)methylazanium

(4-methyliminopyrrolidin-1-ium-3-yl)methylazanium (PubChem CID 20633763) has the molecular formula C6H15N3+2 and a molecular weight of 129.21 g/mol. Its IUPAC name is (4-methyliminopyrrolidin-1-ium-3-yl)methylazanium.

Molecular Properties

Compound Name(4-methyliminopyrrolidin-1-ium-3-yl)methylazanium
PubChem CID20633763
Molecular FormulaC6H15N3+2
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name(4-methyliminopyrrolidin-1-ium-3-yl)methylazanium
SMILESC/N=C1\C[NH2+]CC1C[NH3+]
InChIInChI=1S/C6H13N3/c1-8-6-4-9-3-5(6)2-7/h5,9H,2-4,7H2,1H3/p+2/b8-6+
InChIKeyMALQYVMYKLHFQO-SOFGYWHQSA-P
XLogP-2.51
TPSA56.61 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 5-2.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-1-ium-3-yl)methylazanium?
The IUPAC name of (4-methyliminopyrrolidin-1-ium-3-yl)methylazanium (CID 20633763) is (4-methyliminopyrrolidin-1-ium-3-yl)methylazanium.
What is the SMILES notation for (4-methyliminopyrrolidin-1-ium-3-yl)methylazanium?
The canonical SMILES for (4-methyliminopyrrolidin-1-ium-3-yl)methylazanium is C/N=C1\C[NH2+]CC1C[NH3+].
What is the InChIKey of (4-methyliminopyrrolidin-1-ium-3-yl)methylazanium?
The InChIKey is MALQYVMYKLHFQO-SOFGYWHQSA-P. The full InChI is InChI=1S/C6H13N3/c1-8-6-4-9-3-5(6)2-7/h5,9H,2-4,7H2,1H3/p+2/b8-6+.
What are the key properties of (4-methyliminopyrrolidin-1-ium-3-yl)methylazanium?
(4-methyliminopyrrolidin-1-ium-3-yl)methylazanium has a molecular weight of 129.21 g/mol, XLogP of -2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyliminopyrrolidin-1-ium-3-yl)methylazanium is sourced from PubChem (CID 20633763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).