1-(2,2-dimethylcyclopropyl)-3-ethylurea

C8H16N2O — CID 115590496

IUPAC1-(2,2-dimethylcyclopropyl)-3-ethylurea
SMILESCCNC(=O)NC1CC1(C)C
InChIInChI=1S/C8H16N2O/c1-4-9-7(11)10-6-5-8(6,2)3/h6H,4-5H2,1-3H3,(H2,9,10,11)
InChIKeyMPAUMAHBSGWLKE-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.10
Rot. Bonds2

About 1-(2,2-dimethylcyclopropyl)-3-ethylurea

1-(2,2-dimethylcyclopropyl)-3-ethylurea (PubChem CID 115590496) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-3-ethylurea.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-3-ethylurea
PubChem CID115590496
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(2,2-dimethylcyclopropyl)-3-ethylurea
SMILESCCNC(=O)NC1CC1(C)C
InChIInChI=1S/C8H16N2O/c1-4-9-7(11)10-6-5-8(6,2)3/h6H,4-5H2,1-3H3,(H2,9,10,11)
InChIKeyMPAUMAHBSGWLKE-UHFFFAOYSA-N
XLogP1.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-Cyclopropylethyl)urea
CID 5069854
N-butyl-N'-t-butylurea
CID 13179371
N-Butyl-N'-propan-2-ylurea
CID 14984935
DI-Sec-butylurea
CID 13365
1-(3-Amino-3-methylbutyl)-3-ethylurea
CID 56974230
1-Cyclopropyl-3-(3-methylpentan-3-yl)urea
CID 71875879
1-(Cyclopropylmethyl)-3-(3,3-dimethylbutyl)-1-ethylurea
CID 71876484
3,3-Dimethylbutan-2-ylurea
CID 20107118
1-(2-Fluoro-2-methylcyclopropyl)-3-propan-2-ylurea
CID 118330200
(2,2-Dimethylcyclopropyl)urea
CID 61235311
1-(2,2-Dimethylcyclopropyl)-3-(2,2,2-trifluoroethyl)urea
CID 115590513
N-(2,2-dimethylcyclopropyl)-3-fluoroazetidine-1-carboxamide
CID 126988332

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-3-ethylurea?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-3-ethylurea (CID 115590496) is 1-(2,2-dimethylcyclopropyl)-3-ethylurea.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-3-ethylurea?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-3-ethylurea is CCNC(=O)NC1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-3-ethylurea?
The InChIKey is MPAUMAHBSGWLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-9-7(11)10-6-5-8(6,2)3/h6H,4-5H2,1-3H3,(H2,9,10,11).
What are the key properties of 1-(2,2-dimethylcyclopropyl)-3-ethylurea?
1-(2,2-dimethylcyclopropyl)-3-ethylurea has a molecular weight of 156.23 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-3-ethylurea is sourced from PubChem (CID 115590496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).