(3,4-dimethylpyrrolidin-2-yl)methanamine

C7H16N2 — CID 89431621

IUPAC(3,4-dimethylpyrrolidin-2-yl)methanamine
SMILESCC1CNC(CN)C1C
InChIInChI=1S/C7H16N2/c1-5-4-9-7(3-8)6(5)2/h5-7,9H,3-4,8H2,1-2H3
InChIKeySLINDZAZXWEGPO-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.19
Rot. Bonds1

About (3,4-dimethylpyrrolidin-2-yl)methanamine

(3,4-dimethylpyrrolidin-2-yl)methanamine (PubChem CID 89431621) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (3,4-dimethylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound Name(3,4-dimethylpyrrolidin-2-yl)methanamine
PubChem CID89431621
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(3,4-dimethylpyrrolidin-2-yl)methanamine
SMILESCC1CNC(CN)C1C
InChIInChI=1S/C7H16N2/c1-5-4-9-7(3-8)6(5)2/h5-7,9H,3-4,8H2,1-2H3
InChIKeySLINDZAZXWEGPO-UHFFFAOYSA-N
XLogP0.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpyrrolidin-2-yl)methanamine?
The IUPAC name of (3,4-dimethylpyrrolidin-2-yl)methanamine (CID 89431621) is (3,4-dimethylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for (3,4-dimethylpyrrolidin-2-yl)methanamine?
The canonical SMILES for (3,4-dimethylpyrrolidin-2-yl)methanamine is CC1CNC(CN)C1C.
What is the InChIKey of (3,4-dimethylpyrrolidin-2-yl)methanamine?
The InChIKey is SLINDZAZXWEGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-5-4-9-7(3-8)6(5)2/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of (3,4-dimethylpyrrolidin-2-yl)methanamine?
(3,4-dimethylpyrrolidin-2-yl)methanamine has a molecular weight of 128.22 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 89431621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).