[1-(3-ethyl-2,2-dipropylcyclopropyl)ethylideneamino]urea

C14H27N3O — CID 542078

IUPAC[1-(3-ethyl-2,2-dipropylcyclopropyl)ethylideneamino]urea
SMILESCCCC1(CCC)C(CC)C1C(C)=NNC(N)=O
InChIInChI=1S/C14H27N3O/c1-5-8-14(9-6-2)11(7-3)12(14)10(4)16-17-13(15)18/h11-12H,5-9H2,1-4H3,(H3,15,17,18)
InChIKeyKLGBWJHOHXLSPX-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.27
Rot. Bonds7

About [1-(3-ethyl-2,2-dipropylcyclopropyl)ethylideneamino]urea

[1-(3-ethyl-2,2-dipropylcyclopropyl)ethylideneamino]urea (PubChem CID 542078) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is [1-(3-ethyl-2,2-dipropylcyclopropyl)ethylideneamino]urea.

Molecular Properties

Compound Name[1-(3-ethyl-2,2-dipropylcyclopropyl)ethylideneamino]urea
PubChem CID542078
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name[1-(3-ethyl-2,2-dipropylcyclopropyl)ethylideneamino]urea
SMILESCCCC1(CCC)C(CC)C1C(C)=NNC(N)=O
InChIInChI=1S/C14H27N3O/c1-5-8-14(9-6-2)11(7-3)12(14)10(4)16-17-13(15)18/h11-12H,5-9H2,1-4H3,(H3,15,17,18)
InChIKeyKLGBWJHOHXLSPX-UHFFFAOYSA-N
XLogP3.27
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-(3-ethyl-2,2-dipropylcyclopropyl)ethylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(1S,3R)-2,2,3-tripropylcyclopropyl]ethylideneamino]urea
CID 129431224
3-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 23424248
[(Z)-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethylideneamino]urea
CID 6542954
(propan-2-ylideneamino)urea;sulfane;urea
CID 174867107
[(Z)-1-[(2S,4S)-5-oxo-4-pentyloxolan-2-yl]ethylideneamino]urea
CID 7336108
[(Z)-1-[(1S,2R,5R)-2-hydroxy-2-methyl-5-nitro-5-propylcyclohexyl]ethylideneamino]urea
CID 93488725
[(Z)-hexan-2-ylideneamino]urea
CID 6152474
(1-aminoethylideneamino)urea
CID 85436939
[(Z)-1-(4-hexyl-5-oxooxolan-2-yl)ethylideneamino]urea
CID 6140667
[(Z)-1-[(2S,4R)-4-butyl-5-oxooxolan-2-yl]ethylideneamino]urea
CID 7303677
[(Z)-1-[(1S,2S)-2-tert-butyl-2-methylcyclopropyl]ethylideneamino]urea
CID 5405593
ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate
CID 5385390

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethyl-2,2-dipropylcyclopropyl)ethylideneamino]urea?
The IUPAC name of [1-(3-ethyl-2,2-dipropylcyclopropyl)ethylideneamino]urea (CID 542078) is [1-(3-ethyl-2,2-dipropylcyclopropyl)ethylideneamino]urea.
What is the SMILES notation for [1-(3-ethyl-2,2-dipropylcyclopropyl)ethylideneamino]urea?
The canonical SMILES for [1-(3-ethyl-2,2-dipropylcyclopropyl)ethylideneamino]urea is CCCC1(CCC)C(CC)C1C(C)=NNC(N)=O.
What is the InChIKey of [1-(3-ethyl-2,2-dipropylcyclopropyl)ethylideneamino]urea?
The InChIKey is KLGBWJHOHXLSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-8-14(9-6-2)11(7-3)12(14)10(4)16-17-13(15)18/h11-12H,5-9H2,1-4H3,(H3,15,17,18).
What are the key properties of [1-(3-ethyl-2,2-dipropylcyclopropyl)ethylideneamino]urea?
[1-(3-ethyl-2,2-dipropylcyclopropyl)ethylideneamino]urea has a molecular weight of 253.39 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethyl-2,2-dipropylcyclopropyl)ethylideneamino]urea is sourced from PubChem (CID 542078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).