1-ethyl-3-(propan-2-ylamino)urea

C6H15N3O — CID 54144387

IUPAC1-ethyl-3-(propan-2-ylamino)urea
SMILESCCNC(=O)NNC(C)C
InChIInChI=1S/C6H15N3O/c1-4-7-6(10)9-8-5(2)3/h5,8H,4H2,1-3H3,(H2,7,9,10)
InChIKeyODIITNIBRDQKIM-UHFFFAOYSA-N
MW145.21 g/mol
LogP0.22
Rot. Bonds3

About 1-ethyl-3-(propan-2-ylamino)urea

1-ethyl-3-(propan-2-ylamino)urea (PubChem CID 54144387) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 1-ethyl-3-(propan-2-ylamino)urea.

Molecular Properties

Compound Name1-ethyl-3-(propan-2-ylamino)urea
PubChem CID54144387
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name1-ethyl-3-(propan-2-ylamino)urea
SMILESCCNC(=O)NNC(C)C
InChIInChI=1S/C6H15N3O/c1-4-7-6(10)9-8-5(2)3/h5,8H,4H2,1-3H3,(H2,7,9,10)
InChIKeyODIITNIBRDQKIM-UHFFFAOYSA-N
XLogP0.22
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-propan-2-ylurea;N-propan-2-ylmethanesulfonamide
CID 159156938
1-(propan-2-ylamino)-3-(2,2,2-trifluoroethyl)urea
CID 90317695
ethane;1-ethyl-3-propan-2-ylurea
CID 156793066
1-(carbamoylamino)-3-ethylurea
CID 55206816
1,3-diethylurea;ethane
CID 142885504
1-tert-butyl-3-(propan-2-ylamino)urea
CID 21186040
1,3-bis(ethylcarbamoyl)urea
CID 134915369
1-ethyl-3-(1-fluoropropan-2-yl)urea
CID 126991916
1-(dihydroxymethyl)-3-ethylurea
CID 141116762
3-(ethylcarbamoylamino)-2-methylpropanoic acid
CID 62674990
2-(ethylcarbamoylamino)propanamide
CID 115582785
1-(2,2-dichloropropanoylamino)-3-ethylurea
CID 130675904

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(propan-2-ylamino)urea?
The IUPAC name of 1-ethyl-3-(propan-2-ylamino)urea (CID 54144387) is 1-ethyl-3-(propan-2-ylamino)urea.
What is the SMILES notation for 1-ethyl-3-(propan-2-ylamino)urea?
The canonical SMILES for 1-ethyl-3-(propan-2-ylamino)urea is CCNC(=O)NNC(C)C.
What is the InChIKey of 1-ethyl-3-(propan-2-ylamino)urea?
The InChIKey is ODIITNIBRDQKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-4-7-6(10)9-8-5(2)3/h5,8H,4H2,1-3H3,(H2,7,9,10).
What are the key properties of 1-ethyl-3-(propan-2-ylamino)urea?
1-ethyl-3-(propan-2-ylamino)urea has a molecular weight of 145.21 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(propan-2-ylamino)urea is sourced from PubChem (CID 54144387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).