1-(1-cyclopropylpropyl)-3-propan-2-ylurea

C10H20N2O — CID 68521863

IUPAC1-(1-cyclopropylpropyl)-3-propan-2-ylurea
SMILESCCC(NC(=O)NC(C)C)C1CC1
InChIInChI=1S/C10H20N2O/c1-4-9(8-5-6-8)12-10(13)11-7(2)3/h7-9H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeySPEGMDJXDOABTK-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.88
Rot. Bonds4

About 1-(1-cyclopropylpropyl)-3-propan-2-ylurea

1-(1-cyclopropylpropyl)-3-propan-2-ylurea (PubChem CID 68521863) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(1-cyclopropylpropyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(1-cyclopropylpropyl)-3-propan-2-ylurea
PubChem CID68521863
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(1-cyclopropylpropyl)-3-propan-2-ylurea
SMILESCCC(NC(=O)NC(C)C)C1CC1
InChIInChI=1S/C10H20N2O/c1-4-9(8-5-6-8)12-10(13)11-7(2)3/h7-9H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeySPEGMDJXDOABTK-UHFFFAOYSA-N
XLogP1.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-3-(1-cyclopropylpropyl)urea
CID 130727962
2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid
CID 62406363
(2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid
CID 78989662
N-(1-cyclobutylpropyl)acetamide
CID 127002620
3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide
CID 115724442
N-(1-cyclohexylpropyl)acetamide
CID 45119320
2-bromo-N-(1-cyclohexylpropyl)propanamide
CID 107905149
2-(1-cyclohexylpropylcarbamoylamino)hexanoic acid
CID 62406894
2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid
CID 62405641
2-(1-cyclohexylpropylcarbamoylamino)oxyacetic acid
CID 113498344
2-chloro-N-(1-cyclohexylpropyl)acetamide
CID 62407197
N-(1-cyclopropylpropyl)hydroxylamine
CID 82686074

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpropyl)-3-propan-2-ylurea?
The IUPAC name of 1-(1-cyclopropylpropyl)-3-propan-2-ylurea (CID 68521863) is 1-(1-cyclopropylpropyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(1-cyclopropylpropyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(1-cyclopropylpropyl)-3-propan-2-ylurea is CCC(NC(=O)NC(C)C)C1CC1.
What is the InChIKey of 1-(1-cyclopropylpropyl)-3-propan-2-ylurea?
The InChIKey is SPEGMDJXDOABTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-9(8-5-6-8)12-10(13)11-7(2)3/h7-9H,4-6H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-(1-cyclopropylpropyl)-3-propan-2-ylurea?
1-(1-cyclopropylpropyl)-3-propan-2-ylurea has a molecular weight of 184.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpropyl)-3-propan-2-ylurea is sourced from PubChem (CID 68521863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).