1-(1-amino-2-cyclopropylpropan-2-yl)-3-ethylurea

C9H19N3O — CID 115307789

IUPAC1-(1-amino-2-cyclopropylpropan-2-yl)-3-ethylurea
SMILESCCNC(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C9H19N3O/c1-3-11-8(13)12-9(2,6-10)7-4-5-7/h7H,3-6,10H2,1-2H3,(H2,11,12,13)
InChIKeyXLIOZDJOTFEGKG-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.43
Rot. Bonds4

About 1-(1-amino-2-cyclopropylpropan-2-yl)-3-ethylurea

1-(1-amino-2-cyclopropylpropan-2-yl)-3-ethylurea (PubChem CID 115307789) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(1-amino-2-cyclopropylpropan-2-yl)-3-ethylurea.

Molecular Properties

Compound Name1-(1-amino-2-cyclopropylpropan-2-yl)-3-ethylurea
PubChem CID115307789
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-(1-amino-2-cyclopropylpropan-2-yl)-3-ethylurea
SMILESCCNC(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C9H19N3O/c1-3-11-8(13)12-9(2,6-10)7-4-5-7/h7H,3-6,10H2,1-2H3,(H2,11,12,13)
InChIKeyXLIOZDJOTFEGKG-UHFFFAOYSA-N
XLogP0.43
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclopropylurea
CID 115307810
N-(1-amino-2-cyclopropylpropan-2-yl)acetamide
CID 81486890
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(diethylamino)acetamide
CID 119572571
N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyclopropylpropanamide;hydrochloride
CID 119573506
N-(1-amino-2-cyclopropylpropan-2-yl)adamantane-2-carboxamide
CID 81486841
N-(1-amino-2-cyclopropylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide
CID 103806938
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylpropanamide
CID 81487027
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methylhexanamide;hydrochloride
CID 119574117
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropanamide
CID 119573041
N-(1-amino-2-cyclopropylpropan-2-yl)hexa-2,4-dienamide
CID 115282581
1-N-(1-amino-2-cyclopropylpropan-2-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119575007
N-(1-amino-2-cyclopropylpropan-2-yl)-2-ethylbenzamide
CID 115307666

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-cyclopropylpropan-2-yl)-3-ethylurea?
The IUPAC name of 1-(1-amino-2-cyclopropylpropan-2-yl)-3-ethylurea (CID 115307789) is 1-(1-amino-2-cyclopropylpropan-2-yl)-3-ethylurea.
What is the SMILES notation for 1-(1-amino-2-cyclopropylpropan-2-yl)-3-ethylurea?
The canonical SMILES for 1-(1-amino-2-cyclopropylpropan-2-yl)-3-ethylurea is CCNC(=O)NC(C)(CN)C1CC1.
What is the InChIKey of 1-(1-amino-2-cyclopropylpropan-2-yl)-3-ethylurea?
The InChIKey is XLIOZDJOTFEGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-11-8(13)12-9(2,6-10)7-4-5-7/h7H,3-6,10H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-(1-amino-2-cyclopropylpropan-2-yl)-3-ethylurea?
1-(1-amino-2-cyclopropylpropan-2-yl)-3-ethylurea has a molecular weight of 185.27 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-cyclopropylpropan-2-yl)-3-ethylurea is sourced from PubChem (CID 115307789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).