1-[1-(dimethylamino)ethylidene]-3-propan-2-ylurea

C8H17N3O — CID 123219297

IUPAC1-[1-(dimethylamino)ethylidene]-3-propan-2-ylurea
SMILESCC(=NC(=O)NC(C)C)N(C)C
InChIInChI=1S/C8H17N3O/c1-6(2)9-8(12)10-7(3)11(4)5/h6H,1-5H3,(H,9,12)
InChIKeyOOPOBINUJBXGCW-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds1

About 1-[1-(dimethylamino)ethylidene]-3-propan-2-ylurea

1-[1-(dimethylamino)ethylidene]-3-propan-2-ylurea (PubChem CID 123219297) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-[1-(dimethylamino)ethylidene]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-(dimethylamino)ethylidene]-3-propan-2-ylurea
PubChem CID123219297
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-[1-(dimethylamino)ethylidene]-3-propan-2-ylurea
SMILESCC(=NC(=O)NC(C)C)N(C)C
InChIInChI=1S/C8H17N3O/c1-6(2)9-8(12)10-7(3)11(4)5/h6H,1-5H3,(H,9,12)
InChIKeyOOPOBINUJBXGCW-UHFFFAOYSA-N
XLogP1.08
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(1Z)-1-ethylsulfanyl-N-(propan-2-ylcarbamoyl)methanimidoyl chloride
CID 21442334
methyl N'-(propan-2-ylcarbamoyl)-N-(trifluoromethylcarbamoyl)carbamimidate
CID 54294108
3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide
CID 111043505
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
N,N-dimethyl-2-[[(propan-2-ylamino)-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 111541269
2-[[2-(dimethylamino)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 43214984
acetic acid;1,3-di(propan-2-yl)thiourea
CID 173402637
1,1-diamino-3-propan-2-ylurea
CID 174558732
N-[1-(dimethylamino)ethyl]acetamide
CID 55287286
ethane;N-prop-1-en-2-ylpropan-2-amine
CID 143917378
propan-2-ylcarbamothioic S-acid
CID 13025506
2-[[[1-(4-chlorophenyl)ethylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119139969

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)ethylidene]-3-propan-2-ylurea?
The IUPAC name of 1-[1-(dimethylamino)ethylidene]-3-propan-2-ylurea (CID 123219297) is 1-[1-(dimethylamino)ethylidene]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-(dimethylamino)ethylidene]-3-propan-2-ylurea?
The canonical SMILES for 1-[1-(dimethylamino)ethylidene]-3-propan-2-ylurea is CC(=NC(=O)NC(C)C)N(C)C.
What is the InChIKey of 1-[1-(dimethylamino)ethylidene]-3-propan-2-ylurea?
The InChIKey is OOPOBINUJBXGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6(2)9-8(12)10-7(3)11(4)5/h6H,1-5H3,(H,9,12).
What are the key properties of 1-[1-(dimethylamino)ethylidene]-3-propan-2-ylurea?
1-[1-(dimethylamino)ethylidene]-3-propan-2-ylurea has a molecular weight of 171.24 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)ethylidene]-3-propan-2-ylurea is sourced from PubChem (CID 123219297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).