N,N-diethyl-3-(2-ethylpyrimidin-4-yl)propan-1-amine

C13H23N3 — CID 67812536

IUPACN,N-diethyl-3-(2-ethylpyrimidin-4-yl)propan-1-amine
SMILESCCc1nccc(CCCN(CC)CC)n1
InChIInChI=1S/C13H23N3/c1-4-13-14-10-9-12(15-13)8-7-11-16(5-2)6-3/h9-10H,4-8,11H2,1-3H3
InChIKeyABLFJKCRZIASJF-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.31
Rot. Bonds7

About N,N-diethyl-3-(2-ethylpyrimidin-4-yl)propan-1-amine

N,N-diethyl-3-(2-ethylpyrimidin-4-yl)propan-1-amine (PubChem CID 67812536) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N,N-diethyl-3-(2-ethylpyrimidin-4-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-(2-ethylpyrimidin-4-yl)propan-1-amine
PubChem CID67812536
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN,N-diethyl-3-(2-ethylpyrimidin-4-yl)propan-1-amine
SMILESCCc1nccc(CCCN(CC)CC)n1
InChIInChI=1S/C13H23N3/c1-4-13-14-10-9-12(15-13)8-7-11-16(5-2)6-3/h9-10H,4-8,11H2,1-3H3
InChIKeyABLFJKCRZIASJF-UHFFFAOYSA-N
XLogP2.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(2-ethylpyrimidin-4-yl)propan-1-amine?
The IUPAC name of N,N-diethyl-3-(2-ethylpyrimidin-4-yl)propan-1-amine (CID 67812536) is N,N-diethyl-3-(2-ethylpyrimidin-4-yl)propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-(2-ethylpyrimidin-4-yl)propan-1-amine?
The canonical SMILES for N,N-diethyl-3-(2-ethylpyrimidin-4-yl)propan-1-amine is CCc1nccc(CCCN(CC)CC)n1.
What is the InChIKey of N,N-diethyl-3-(2-ethylpyrimidin-4-yl)propan-1-amine?
The InChIKey is ABLFJKCRZIASJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-13-14-10-9-12(15-13)8-7-11-16(5-2)6-3/h9-10H,4-8,11H2,1-3H3.
What are the key properties of N,N-diethyl-3-(2-ethylpyrimidin-4-yl)propan-1-amine?
N,N-diethyl-3-(2-ethylpyrimidin-4-yl)propan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(2-ethylpyrimidin-4-yl)propan-1-amine is sourced from PubChem (CID 67812536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).