N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine

C13H21N3 — CID 79245667

IUPACN-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine
SMILESCCNc1ccnc(CN2CCC(C)C2)c1
InChIInChI=1S/C13H21N3/c1-3-14-12-4-6-15-13(8-12)10-16-7-5-11(2)9-16/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,14,15)
InChIKeyJIGIJEHOUIQVPG-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.36
Rot. Bonds4

About N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine

N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine (PubChem CID 79245667) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine
PubChem CID79245667
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine
SMILESCCNc1ccnc(CN2CCC(C)C2)c1
InChIInChI=1S/C13H21N3/c1-3-14-12-4-6-15-13(8-12)10-16-7-5-11(2)9-16/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,14,15)
InChIKeyJIGIJEHOUIQVPG-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine?
The IUPAC name of N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine (CID 79245667) is N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine.
What is the SMILES notation for N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine?
The canonical SMILES for N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine is CCNc1ccnc(CN2CCC(C)C2)c1.
What is the InChIKey of N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine?
The InChIKey is JIGIJEHOUIQVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-14-12-4-6-15-13(8-12)10-16-7-5-11(2)9-16/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine?
N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine has a molecular weight of 219.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 79245667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).