1,3-dimethylpyrrolidin-3-amine

C6H14N2 — CID 20763627

IUPAC1,3-dimethylpyrrolidin-3-amine
SMILESCN1CCC(C)(N)C1
InChIInChI=1S/C6H14N2/c1-6(7)3-4-8(2)5-6/h3-5,7H2,1-2H3
InChIKeyCTCROLHSTQLQKI-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.04
Rot. Bonds

About 1,3-dimethylpyrrolidin-3-amine

1,3-dimethylpyrrolidin-3-amine (PubChem CID 20763627) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 1,3-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1,3-dimethylpyrrolidin-3-amine
PubChem CID20763627
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name1,3-dimethylpyrrolidin-3-amine
SMILESCN1CCC(C)(N)C1
InChIInChI=1S/C6H14N2/c1-6(7)3-4-8(2)5-6/h3-5,7H2,1-2H3
InChIKeyCTCROLHSTQLQKI-UHFFFAOYSA-N
XLogP0.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrrolidin-3-amine?
The IUPAC name of 1,3-dimethylpyrrolidin-3-amine (CID 20763627) is 1,3-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1,3-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1,3-dimethylpyrrolidin-3-amine is CN1CCC(C)(N)C1.
What is the InChIKey of 1,3-dimethylpyrrolidin-3-amine?
The InChIKey is CTCROLHSTQLQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-6(7)3-4-8(2)5-6/h3-5,7H2,1-2H3.
What are the key properties of 1,3-dimethylpyrrolidin-3-amine?
1,3-dimethylpyrrolidin-3-amine has a molecular weight of 114.19 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 20763627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).