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

C11H17N3 — CID 115018745

IUPAC[4-(1-methylpyrrolidin-2-yl)-3-pyridinyl]methanamine
SMILESCN1CCCC1c1ccncc1CN
InChIInChI=1S/C11H17N3/c1-14-6-2-3-11(14)10-4-5-13-8-9(10)7-12/h4-5,8,11H,2-3,6-7,12H2,1H3
InChIKeyYIAFPVABOZBYSH-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.31
Rot. Bonds2

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

[4-(1-methylpyrrolidin-2-yl)-3-pyridinyl]methanamine (PubChem CID 115018745) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is [4-(1-methylpyrrolidin-2-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(1-methylpyrrolidin-2-yl)-3-pyridinyl]methanamine
PubChem CID115018745
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name[4-(1-methylpyrrolidin-2-yl)-3-pyridinyl]methanamine
SMILESCN1CCCC1c1ccncc1CN
InChIInChI=1S/C11H17N3/c1-14-6-2-3-11(14)10-4-5-13-8-9(10)7-12/h4-5,8,11H,2-3,6-7,12H2,1H3
InChIKeyYIAFPVABOZBYSH-UHFFFAOYSA-N
XLogP1.31
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpyrrolidin-2-yl)-3-pyridinyl]methanamine?
The IUPAC name of [4-(1-methylpyrrolidin-2-yl)-3-pyridinyl]methanamine (CID 115018745) is [4-(1-methylpyrrolidin-2-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(1-methylpyrrolidin-2-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [4-(1-methylpyrrolidin-2-yl)-3-pyridinyl]methanamine is CN1CCCC1c1ccncc1CN.
What is the InChIKey of [4-(1-methylpyrrolidin-2-yl)-3-pyridinyl]methanamine?
The InChIKey is YIAFPVABOZBYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-14-6-2-3-11(14)10-4-5-13-8-9(10)7-12/h4-5,8,11H,2-3,6-7,12H2,1H3.
What are the key properties of [4-(1-methylpyrrolidin-2-yl)-3-pyridinyl]methanamine?
[4-(1-methylpyrrolidin-2-yl)-3-pyridinyl]methanamine has a molecular weight of 191.28 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpyrrolidin-2-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 115018745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).