1-methyl-4-methyliminopyrrolidin-3-amine

C6H13N3 — CID 20763640

IUPAC1-methyl-4-methyliminopyrrolidin-3-amine
SMILESC/N=C1\CN(C)CC1N
InChIInChI=1S/C6H13N3/c1-8-6-4-9(2)3-5(6)7/h5H,3-4,7H2,1-2H3/b8-6+
InChIKeyROYPPHUDTBSABR-SOFGYWHQSA-N
MW127.19 g/mol
LogP-0.67
Rot. Bonds

About 1-methyl-4-methyliminopyrrolidin-3-amine

1-methyl-4-methyliminopyrrolidin-3-amine (PubChem CID 20763640) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-methyl-4-methyliminopyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-4-methyliminopyrrolidin-3-amine
PubChem CID20763640
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name1-methyl-4-methyliminopyrrolidin-3-amine
SMILESC/N=C1\CN(C)CC1N
InChIInChI=1S/C6H13N3/c1-8-6-4-9(2)3-5(6)7/h5H,3-4,7H2,1-2H3/b8-6+
InChIKeyROYPPHUDTBSABR-SOFGYWHQSA-N
XLogP-0.67
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
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 1-methyl-4-methyliminopyrrolidin-3-amine?
The IUPAC name of 1-methyl-4-methyliminopyrrolidin-3-amine (CID 20763640) is 1-methyl-4-methyliminopyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-4-methyliminopyrrolidin-3-amine?
The canonical SMILES for 1-methyl-4-methyliminopyrrolidin-3-amine is C/N=C1\CN(C)CC1N.
What is the InChIKey of 1-methyl-4-methyliminopyrrolidin-3-amine?
The InChIKey is ROYPPHUDTBSABR-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H13N3/c1-8-6-4-9(2)3-5(6)7/h5H,3-4,7H2,1-2H3/b8-6+.
What are the key properties of 1-methyl-4-methyliminopyrrolidin-3-amine?
1-methyl-4-methyliminopyrrolidin-3-amine has a molecular weight of 127.19 g/mol, XLogP of -0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methyliminopyrrolidin-3-amine is sourced from PubChem (CID 20763640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).