(1,3-dimethylpyrrolidin-2-yl)methanamine

C7H16N2 — CID 58841122

IUPAC(1,3-dimethylpyrrolidin-2-yl)methanamine
SMILESCC1CCN(C)C1CN
InChIInChI=1S/C7H16N2/c1-6-3-4-9(2)7(6)5-8/h6-7H,3-5,8H2,1-2H3
InChIKeyKVODZTBQMRDDAS-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.29
Rot. Bonds1

About (1,3-dimethylpyrrolidin-2-yl)methanamine

(1,3-dimethylpyrrolidin-2-yl)methanamine (PubChem CID 58841122) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (1,3-dimethylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound Name(1,3-dimethylpyrrolidin-2-yl)methanamine
PubChem CID58841122
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(1,3-dimethylpyrrolidin-2-yl)methanamine
SMILESCC1CCN(C)C1CN
InChIInChI=1S/C7H16N2/c1-6-3-4-9(2)7(6)5-8/h6-7H,3-5,8H2,1-2H3
InChIKeyKVODZTBQMRDDAS-UHFFFAOYSA-N
XLogP0.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrrolidin-2-yl)methanamine?
The IUPAC name of (1,3-dimethylpyrrolidin-2-yl)methanamine (CID 58841122) is (1,3-dimethylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for (1,3-dimethylpyrrolidin-2-yl)methanamine?
The canonical SMILES for (1,3-dimethylpyrrolidin-2-yl)methanamine is CC1CCN(C)C1CN.
What is the InChIKey of (1,3-dimethylpyrrolidin-2-yl)methanamine?
The InChIKey is KVODZTBQMRDDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-6-3-4-9(2)7(6)5-8/h6-7H,3-5,8H2,1-2H3.
What are the key properties of (1,3-dimethylpyrrolidin-2-yl)methanamine?
(1,3-dimethylpyrrolidin-2-yl)methanamine has a molecular weight of 128.22 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 58841122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).