2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine

C16H27N3 — CID 83221527

IUPAC2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CN2C(C)CCC2CC)c1
InChIInChI=1S/C16H27N3/c1-4-9-17-14-8-10-18-15(11-14)12-19-13(3)6-7-16(19)5-2/h8,10-11,13,16H,4-7,9,12H2,1-3H3,(H,17,18)
InChIKeyHKGOYVVZRJIHKP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.67
Rot. Bonds6

About 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine

2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine (PubChem CID 83221527) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine
PubChem CID83221527
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CN2C(C)CCC2CC)c1
InChIInChI=1S/C16H27N3/c1-4-9-17-14-8-10-18-15(11-14)12-19-13(3)6-7-16(19)5-2/h8,10-11,13,16H,4-7,9,12H2,1-3H3,(H,17,18)
InChIKeyHKGOYVVZRJIHKP-UHFFFAOYSA-N
XLogP3.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine?
The IUPAC name of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine (CID 83221527) is 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine.
What is the SMILES notation for 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine?
The canonical SMILES for 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine is CCCNc1ccnc(CN2C(C)CCC2CC)c1.
What is the InChIKey of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine?
The InChIKey is HKGOYVVZRJIHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-9-17-14-8-10-18-15(11-14)12-19-13(3)6-7-16(19)5-2/h8,10-11,13,16H,4-7,9,12H2,1-3H3,(H,17,18).
What are the key properties of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine?
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine is sourced from PubChem (CID 83221527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).