1-[3-(dimethylamino)propyl]-1,3-dimethylurea

C8H19N3O — CID 58787625

IUPAC1-[3-(dimethylamino)propyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)CCCN(C)C
InChIInChI=1S/C8H19N3O/c1-9-8(12)11(4)7-5-6-10(2)3/h5-7H2,1-4H3,(H,9,12)
InChIKeyUJXKRSANKLKRLO-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.21
Rot. Bonds4

About 1-[3-(dimethylamino)propyl]-1,3-dimethylurea

1-[3-(dimethylamino)propyl]-1,3-dimethylurea (PubChem CID 58787625) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-1,3-dimethylurea
PubChem CID58787625
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name1-[3-(dimethylamino)propyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)CCCN(C)C
InChIInChI=1S/C8H19N3O/c1-9-8(12)11(4)7-5-6-10(2)3/h5-7H2,1-4H3,(H,9,12)
InChIKeyUJXKRSANKLKRLO-UHFFFAOYSA-N
XLogP0.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-1,3-dimethylurea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-1,3-dimethylurea (CID 58787625) is 1-[3-(dimethylamino)propyl]-1,3-dimethylurea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-1,3-dimethylurea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-1,3-dimethylurea is CNC(=O)N(C)CCCN(C)C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-1,3-dimethylurea?
The InChIKey is UJXKRSANKLKRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-9-8(12)11(4)7-5-6-10(2)3/h5-7H2,1-4H3,(H,9,12).
What are the key properties of 1-[3-(dimethylamino)propyl]-1,3-dimethylurea?
1-[3-(dimethylamino)propyl]-1,3-dimethylurea has a molecular weight of 173.26 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-1,3-dimethylurea is sourced from PubChem (CID 58787625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).