3-ethyl-N-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-amine

C13H23N3 — CID 82922386

IUPAC3-ethyl-N-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-amine
SMILESCCC(CC)CC(NC)c1ccnc(C)n1
InChIInChI=1S/C13H23N3/c1-5-11(6-2)9-13(14-4)12-7-8-15-10(3)16-12/h7-8,11,13-14H,5-6,9H2,1-4H3
InChIKeyUOPWHGGHGGPKNY-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.87
Rot. Bonds6

About 3-ethyl-N-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-amine

3-ethyl-N-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-amine (PubChem CID 82922386) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-ethyl-N-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-amine
PubChem CID82922386
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-ethyl-N-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-amine
SMILESCCC(CC)CC(NC)c1ccnc(C)n1
InChIInChI=1S/C13H23N3/c1-5-11(6-2)9-13(14-4)12-7-8-15-10(3)16-12/h7-8,11,13-14H,5-6,9H2,1-4H3
InChIKeyUOPWHGGHGGPKNY-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-amine?
The IUPAC name of 3-ethyl-N-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-amine (CID 82922386) is 3-ethyl-N-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-amine.
What is the SMILES notation for 3-ethyl-N-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-amine?
The canonical SMILES for 3-ethyl-N-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-amine is CCC(CC)CC(NC)c1ccnc(C)n1.
What is the InChIKey of 3-ethyl-N-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-amine?
The InChIKey is UOPWHGGHGGPKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-11(6-2)9-13(14-4)12-7-8-15-10(3)16-12/h7-8,11,13-14H,5-6,9H2,1-4H3.
What are the key properties of 3-ethyl-N-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-amine?
3-ethyl-N-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-amine is sourced from PubChem (CID 82922386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).