[4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methanamine

C12H19N3 — CID 79182680

IUPAC[4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methanamine
SMILESCC1CN(c2ccnc(CN)c2)CC1C
InChIInChI=1S/C12H19N3/c1-9-7-15(8-10(9)2)12-3-4-14-11(5-12)6-13/h3-5,9-10H,6-8,13H2,1-2H3
InChIKeyAXWGZOUZQBNQPB-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.63
Rot. Bonds2

About [4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methanamine

[4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methanamine (PubChem CID 79182680) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is [4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methanamine
PubChem CID79182680
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name[4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methanamine
SMILESCC1CN(c2ccnc(CN)c2)CC1C
InChIInChI=1S/C12H19N3/c1-9-7-15(8-10(9)2)12-3-4-14-11(5-12)6-13/h3-5,9-10H,6-8,13H2,1-2H3
InChIKeyAXWGZOUZQBNQPB-UHFFFAOYSA-N
XLogP1.63
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methanamine (CID 79182680) is [4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methanamine is CC1CN(c2ccnc(CN)c2)CC1C.
What is the InChIKey of [4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methanamine?
The InChIKey is AXWGZOUZQBNQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9-7-15(8-10(9)2)12-3-4-14-11(5-12)6-13/h3-5,9-10H,6-8,13H2,1-2H3.
What are the key properties of [4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methanamine?
[4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methanamine has a molecular weight of 205.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 79182680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).