3-cyclopropyl-1-methyl-1-pentan-2-ylurea

C10H20N2O — CID 115581567

IUPAC3-cyclopropyl-1-methyl-1-pentan-2-ylurea
SMILESCCCC(C)N(C)C(=O)NC1CC1
InChIInChI=1S/C10H20N2O/c1-4-5-8(2)12(3)10(13)11-9-6-7-9/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyRXHWRNIOJLYLKF-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.98
Rot. Bonds4

About 3-cyclopropyl-1-methyl-1-pentan-2-ylurea

3-cyclopropyl-1-methyl-1-pentan-2-ylurea (PubChem CID 115581567) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-1-pentan-2-ylurea.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-1-pentan-2-ylurea
PubChem CID115581567
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-cyclopropyl-1-methyl-1-pentan-2-ylurea
SMILESCCCC(C)N(C)C(=O)NC1CC1
InChIInChI=1S/C10H20N2O/c1-4-5-8(2)12(3)10(13)11-9-6-7-9/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyRXHWRNIOJLYLKF-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopentyl-1-methyl-1-pentan-2-ylurea
CID 115581562
1-butan-2-yl-3-cyclopentyl-1-methylurea
CID 115584177
1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea
CID 82504241
3-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 104552932
4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61202146
N-cyclopropyl-3-methylhexanamide
CID 155359047
1-(2-amino-1-cyclopropylethyl)-3-cyclopropyl-1-methylurea
CID 116652105
1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea
CID 127484817
(3S)-N-cyclopropyl-2,3-dihydroxyhexanamide
CID 123542351
2-(cyclopropylmethylamino)-N-methyl-N-pentan-2-ylacetamide
CID 60865827
2-[methyl-[(3-methylcyclopentyl)carbamoyl]amino]propanoic acid
CID 114548788
N-(4-bromocyclohexyl)-2-methylpentanamide
CID 114309002

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-1-pentan-2-ylurea?
The IUPAC name of 3-cyclopropyl-1-methyl-1-pentan-2-ylurea (CID 115581567) is 3-cyclopropyl-1-methyl-1-pentan-2-ylurea.
What is the SMILES notation for 3-cyclopropyl-1-methyl-1-pentan-2-ylurea?
The canonical SMILES for 3-cyclopropyl-1-methyl-1-pentan-2-ylurea is CCCC(C)N(C)C(=O)NC1CC1.
What is the InChIKey of 3-cyclopropyl-1-methyl-1-pentan-2-ylurea?
The InChIKey is RXHWRNIOJLYLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-5-8(2)12(3)10(13)11-9-6-7-9/h8-9H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 3-cyclopropyl-1-methyl-1-pentan-2-ylurea?
3-cyclopropyl-1-methyl-1-pentan-2-ylurea has a molecular weight of 184.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-1-pentan-2-ylurea is sourced from PubChem (CID 115581567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).