[4-(3,4-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine

C13H21N3 — CID 81248079

IUPAC[4-(3,4-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine
SMILESCc1cc(N2CC(C)C(C)C2)c(CN)cn1
InChIInChI=1S/C13H21N3/c1-9-7-16(8-10(9)2)13-4-11(3)15-6-12(13)5-14/h4,6,9-10H,5,7-8,14H2,1-3H3
InChIKeyCOJDKIPHWZGPST-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.94
Rot. Bonds2

About [4-(3,4-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine

[4-(3,4-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine (PubChem CID 81248079) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is [4-(3,4-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(3,4-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine
PubChem CID81248079
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name[4-(3,4-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine
SMILESCc1cc(N2CC(C)C(C)C2)c(CN)cn1
InChIInChI=1S/C13H21N3/c1-9-7-16(8-10(9)2)13-4-11(3)15-6-12(13)5-14/h4,6,9-10H,5,7-8,14H2,1-3H3
InChIKeyCOJDKIPHWZGPST-UHFFFAOYSA-N
XLogP1.94
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.94
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)-6-methyl-3-pyridinyl]methanamine?
The IUPAC name of [4-(3,4-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine (CID 81248079) is [4-(3,4-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(3,4-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [4-(3,4-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine is Cc1cc(N2CC(C)C(C)C2)c(CN)cn1.
What is the InChIKey of [4-(3,4-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine?
The InChIKey is COJDKIPHWZGPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-7-16(8-10(9)2)13-4-11(3)15-6-12(13)5-14/h4,6,9-10H,5,7-8,14H2,1-3H3.
What are the key properties of [4-(3,4-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine?
[4-(3,4-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 1.94, 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)-6-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 81248079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).