propylaminourea

C4H11N3O — CID 55291175

IUPACpropylaminourea
SMILESCCCNNC(N)=O
InChIInChI=1S/C4H11N3O/c1-2-3-6-7-4(5)8/h6H,2-3H2,1H3,(H3,5,7,8)
InChIKeyIZPKADFECHOBLR-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.43
Rot. Bonds3

About propylaminourea

propylaminourea (PubChem CID 55291175) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is propylaminourea.

Molecular Properties

Compound Namepropylaminourea
PubChem CID55291175
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC Namepropylaminourea
SMILESCCCNNC(N)=O
InChIInChI=1S/C4H11N3O/c1-2-3-6-7-4(5)8/h6H,2-3H2,1H3,(H3,5,7,8)
InChIKeyIZPKADFECHOBLR-UHFFFAOYSA-N
XLogP-0.43
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(propylamino)carbamate
CID 88968739
ethyl carbamate;(pentylamino)urea;urea
CID 88729950
[3-(dimethylamino)propylamino]urea
CID 118451247
(2-methylpropylamino)urea
CID 55285405
2-oxo-2-(2-pentylhydrazinyl)acetamide
CID 174616394
2-(propylamino)acetamide
CID 15839438
1-but-1-en-2-yl-2-propylhydrazine
CID 90268205
1-(carbamoylamino)-3-ethylurea
CID 55206816
2-(2-propylhydrazinyl)acetic acid
CID 140974960
(pentylcarbamothioylamino)urea
CID 3705847
ethane;prop-1-ene;propylurea
CID 142245891
(decanoylamino)urea
CID 65426818

Frequently Asked Questions

What is the IUPAC name of propylaminourea?
The IUPAC name of propylaminourea (CID 55291175) is propylaminourea.
What is the SMILES notation for propylaminourea?
The canonical SMILES for propylaminourea is CCCNNC(N)=O.
What is the InChIKey of propylaminourea?
The InChIKey is IZPKADFECHOBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c1-2-3-6-7-4(5)8/h6H,2-3H2,1H3,(H3,5,7,8).
What are the key properties of propylaminourea?
propylaminourea has a molecular weight of 117.15 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propylaminourea is sourced from PubChem (CID 55291175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).