N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine

C13H21N3 — CID 61209300

IUPACN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
SMILESCC(C)N1CCC(CNc2ccccn2)C1
InChIInChI=1S/C13H21N3/c1-11(2)16-8-6-12(10-16)9-15-13-5-3-4-7-14-13/h3-5,7,11-12H,6,8-10H2,1-2H3,(H,14,15)
InChIKeyYACYDBUGRRMHHN-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.22
Rot. Bonds4

About N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine (PubChem CID 61209300) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
PubChem CID61209300
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
SMILESCC(C)N1CCC(CNc2ccccn2)C1
InChIInChI=1S/C13H21N3/c1-11(2)16-8-6-12(10-16)9-15-13-5-3-4-7-14-13/h3-5,7,11-12H,6,8-10H2,1-2H3,(H,14,15)
InChIKeyYACYDBUGRRMHHN-UHFFFAOYSA-N
XLogP2.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine (CID 61209300) is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine is CC(C)N1CCC(CNc2ccccn2)C1.
What is the InChIKey of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The InChIKey is YACYDBUGRRMHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11(2)16-8-6-12(10-16)9-15-13-5-3-4-7-14-13/h3-5,7,11-12H,6,8-10H2,1-2H3,(H,14,15).
What are the key properties of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine?
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 61209300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).