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

C9H21N3O — CID 115904156

IUPAC1-[3-(dimethylamino)propyl]-1,3,3-trimethylurea
SMILESCN(C)CCCN(C)C(=O)N(C)C
InChIInChI=1S/C9H21N3O/c1-10(2)7-6-8-12(5)9(13)11(3)4/h6-8H2,1-5H3
InChIKeyHAROAGPYGIYIPT-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.55
Rot. Bonds4

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

1-[3-(dimethylamino)propyl]-1,3,3-trimethylurea (PubChem CID 115904156) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-1,3,3-trimethylurea
PubChem CID115904156
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name1-[3-(dimethylamino)propyl]-1,3,3-trimethylurea
SMILESCN(C)CCCN(C)C(=O)N(C)C
InChIInChI=1S/C9H21N3O/c1-10(2)7-6-8-12(5)9(13)11(3)4/h6-8H2,1-5H3
InChIKeyHAROAGPYGIYIPT-UHFFFAOYSA-N
XLogP0.55
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-1,3,3-trimethylurea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-1,3,3-trimethylurea (CID 115904156) is 1-[3-(dimethylamino)propyl]-1,3,3-trimethylurea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-1,3,3-trimethylurea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-1,3,3-trimethylurea is CN(C)CCCN(C)C(=O)N(C)C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-1,3,3-trimethylurea?
The InChIKey is HAROAGPYGIYIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-10(2)7-6-8-12(5)9(13)11(3)4/h6-8H2,1-5H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-1,3,3-trimethylurea?
1-[3-(dimethylamino)propyl]-1,3,3-trimethylurea has a molecular weight of 187.29 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-1,3,3-trimethylurea is sourced from PubChem (CID 115904156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).