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

C13H21N3 — CID 81248148

IUPAC[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
SMILESCC(C)C1CCCN1c1ccncc1CN
InChIInChI=1S/C13H21N3/c1-10(2)12-4-3-7-16(12)13-5-6-15-9-11(13)8-14/h5-6,9-10,12H,3-4,7-8,14H2,1-2H3
InChIKeyMGGFNDOGCKDULG-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.17
Rot. Bonds3

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

[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine (PubChem CID 81248148) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is [4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
PubChem CID81248148
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
SMILESCC(C)C1CCCN1c1ccncc1CN
InChIInChI=1S/C13H21N3/c1-10(2)12-4-3-7-16(12)13-5-6-15-9-11(13)8-14/h5-6,9-10,12H,3-4,7-8,14H2,1-2H3
InChIKeyMGGFNDOGCKDULG-UHFFFAOYSA-N
XLogP2.17
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine (CID 81248148) is [4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine is CC(C)C1CCCN1c1ccncc1CN.
What is the InChIKey of [4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is MGGFNDOGCKDULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10(2)12-4-3-7-16(12)13-5-6-15-9-11(13)8-14/h5-6,9-10,12H,3-4,7-8,14H2,1-2H3.
What are the key properties of [4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 81248148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).