3-(dimethylamino)pentylurea

C8H19N3O — CID 87471098

IUPAC3-(dimethylamino)pentylurea
SMILESCCC(CCNC(N)=O)N(C)C
InChIInChI=1S/C8H19N3O/c1-4-7(11(2)3)5-6-10-8(9)12/h7H,4-6H2,1-3H3,(H3,9,10,12)
InChIKeyJXSUYTMZYUNYJD-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.38
Rot. Bonds5

About 3-(dimethylamino)pentylurea

3-(dimethylamino)pentylurea (PubChem CID 87471098) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(dimethylamino)pentylurea.

Molecular Properties

Compound Name3-(dimethylamino)pentylurea
PubChem CID87471098
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name3-(dimethylamino)pentylurea
SMILESCCC(CCNC(N)=O)N(C)C
InChIInChI=1S/C8H19N3O/c1-4-7(11(2)3)5-6-10-8(9)12/h7H,4-6H2,1-3H3,(H3,9,10,12)
InChIKeyJXSUYTMZYUNYJD-UHFFFAOYSA-N
XLogP0.38
TPSA58.36 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 ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)pentyl N-butylcarbamate;dihydrochloride
CID 160545777
N-[4-(dimethylamino)hexyl]prop-2-enamide
CID 22764760
5,7-bis(carbamoylamino)heptan-3-ylurea
CID 154207016
4-methylhexylurea
CID 59582725
2-(dimethylamino)ethylurea
CID 16785331
(4,4,4-triethoxy-3-methylbutyl)urea
CID 150562365
3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110778
1-(carbamoylamino)octan-3-ylurea
CID 154304190
2-(2-methylbutylamino)ethylurea
CID 83109541
N-[2-(carbamoylamino)ethyl]propanamide
CID 78993883
(4,4-diethoxy-3-methylpentyl)urea
CID 150757401
2-[2-(carbamoylamino)ethylamino]-N,N-dimethylpropanamide
CID 83120649

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)pentylurea?
The IUPAC name of 3-(dimethylamino)pentylurea (CID 87471098) is 3-(dimethylamino)pentylurea.
What is the SMILES notation for 3-(dimethylamino)pentylurea?
The canonical SMILES for 3-(dimethylamino)pentylurea is CCC(CCNC(N)=O)N(C)C.
What is the InChIKey of 3-(dimethylamino)pentylurea?
The InChIKey is JXSUYTMZYUNYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-4-7(11(2)3)5-6-10-8(9)12/h7H,4-6H2,1-3H3,(H3,9,10,12).
What are the key properties of 3-(dimethylamino)pentylurea?
3-(dimethylamino)pentylurea has a molecular weight of 173.26 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)pentylurea is sourced from PubChem (CID 87471098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).