3-[3-(aminomethyl)phenyl]-5-propyl-1,3-diazinane-2,4-dione

C14H19N3O2 — CID 80578813

IUPAC3-[3-(aminomethyl)phenyl]-5-propyl-1,3-diazinane-2,4-dione
SMILESCCCC1CNC(=O)N(c2cccc(CN)c2)C1=O
InChIInChI=1S/C14H19N3O2/c1-2-4-11-9-16-14(19)17(13(11)18)12-6-3-5-10(7-12)8-15/h3,5-7,11H,2,4,8-9,15H2,1H3,(H,16,19)
InChIKeyNUYQPSBBKZXNRR-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.62
Rot. Bonds4

About 3-[3-(aminomethyl)phenyl]-5-propyl-1,3-diazinane-2,4-dione

3-[3-(aminomethyl)phenyl]-5-propyl-1,3-diazinane-2,4-dione (PubChem CID 80578813) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-[3-(aminomethyl)phenyl]-5-propyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-[3-(aminomethyl)phenyl]-5-propyl-1,3-diazinane-2,4-dione
PubChem CID80578813
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name3-[3-(aminomethyl)phenyl]-5-propyl-1,3-diazinane-2,4-dione
SMILESCCCC1CNC(=O)N(c2cccc(CN)c2)C1=O
InChIInChI=1S/C14H19N3O2/c1-2-4-11-9-16-14(19)17(13(11)18)12-6-3-5-10(7-12)8-15/h3,5-7,11H,2,4,8-9,15H2,1H3,(H,16,19)
InChIKeyNUYQPSBBKZXNRR-UHFFFAOYSA-N
XLogP1.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)phenyl]-5-propyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-[3-(aminomethyl)phenyl]-5-propyl-1,3-diazinane-2,4-dione (CID 80578813) is 3-[3-(aminomethyl)phenyl]-5-propyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-[3-(aminomethyl)phenyl]-5-propyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-[3-(aminomethyl)phenyl]-5-propyl-1,3-diazinane-2,4-dione is CCCC1CNC(=O)N(c2cccc(CN)c2)C1=O.
What is the InChIKey of 3-[3-(aminomethyl)phenyl]-5-propyl-1,3-diazinane-2,4-dione?
The InChIKey is NUYQPSBBKZXNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-4-11-9-16-14(19)17(13(11)18)12-6-3-5-10(7-12)8-15/h3,5-7,11H,2,4,8-9,15H2,1H3,(H,16,19).
What are the key properties of 3-[3-(aminomethyl)phenyl]-5-propyl-1,3-diazinane-2,4-dione?
3-[3-(aminomethyl)phenyl]-5-propyl-1,3-diazinane-2,4-dione has a molecular weight of 261.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)phenyl]-5-propyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 80578813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).