1-[2-(diethylamino)ethyl]-3-methylurea

C8H19N3O — CID 58988200

IUPAC1-[2-(diethylamino)ethyl]-3-methylurea
SMILESCCN(CC)CCNC(=O)NC
InChIInChI=1S/C8H19N3O/c1-4-11(5-2)7-6-10-8(12)9-3/h4-7H2,1-3H3,(H2,9,10,12)
InChIKeyPVQNSBIQVLXDQT-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.26
Rot. Bonds5

About 1-[2-(diethylamino)ethyl]-3-methylurea

1-[2-(diethylamino)ethyl]-3-methylurea (PubChem CID 58988200) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3-methylurea
PubChem CID58988200
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name1-[2-(diethylamino)ethyl]-3-methylurea
SMILESCCN(CC)CCNC(=O)NC
InChIInChI=1S/C8H19N3O/c1-4-11(5-2)7-6-10-8(12)9-3/h4-7H2,1-3H3,(H2,9,10,12)
InChIKeyPVQNSBIQVLXDQT-UHFFFAOYSA-N
XLogP0.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-methylurea?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3-methylurea (CID 58988200) is 1-[2-(diethylamino)ethyl]-3-methylurea.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-methylurea?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-methylurea is CCN(CC)CCNC(=O)NC.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-methylurea?
The InChIKey is PVQNSBIQVLXDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-4-11(5-2)7-6-10-8(12)9-3/h4-7H2,1-3H3,(H2,9,10,12).
What are the key properties of 1-[2-(diethylamino)ethyl]-3-methylurea?
1-[2-(diethylamino)ethyl]-3-methylurea has a molecular weight of 173.26 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3-methylurea is sourced from PubChem (CID 58988200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).