1-propan-2-yl-3-[(1-propylcyclopropyl)methyl]urea

C11H22N2O — CID 103761309

IUPAC1-propan-2-yl-3-[(1-propylcyclopropyl)methyl]urea
SMILESCCCC1(CNC(=O)NC(C)C)CC1
InChIInChI=1S/C11H22N2O/c1-4-5-11(6-7-11)8-12-10(14)13-9(2)3/h9H,4-8H2,1-3H3,(H2,12,13,14)
InChIKeyFDHFQSITUBAVEX-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.27
Rot. Bonds5

About 1-propan-2-yl-3-[(1-propylcyclopropyl)methyl]urea

1-propan-2-yl-3-[(1-propylcyclopropyl)methyl]urea (PubChem CID 103761309) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-propan-2-yl-3-[(1-propylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[(1-propylcyclopropyl)methyl]urea
PubChem CID103761309
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-propan-2-yl-3-[(1-propylcyclopropyl)methyl]urea
SMILESCCCC1(CNC(=O)NC(C)C)CC1
InChIInChI=1S/C11H22N2O/c1-4-5-11(6-7-11)8-12-10(14)13-9(2)3/h9H,4-8H2,1-3H3,(H2,12,13,14)
InChIKeyFDHFQSITUBAVEX-UHFFFAOYSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[1-(methylaminomethyl)cyclopropyl]methyl]-3-propan-2-ylurea
CID 115267413
1-[(2R)-1-methoxypropan-2-yl]-3-[(1-propylcyclopropyl)methyl]urea
CID 97098099
1-(1-methoxypropan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea
CID 71919516
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 115362818
4-hydroxy-2-[(1-propylcyclopropyl)methylcarbamoylamino]butanoic acid
CID 114101487
1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 53397422
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
ethyl N-[(1-propylcyclopropyl)methyl]carbamate
CID 103762312
(2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide
CID 103833324
1-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 103813043
1-(1-cyclobutylethyl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea
CID 109499933
1-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 163004834

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[(1-propylcyclopropyl)methyl]urea?
The IUPAC name of 1-propan-2-yl-3-[(1-propylcyclopropyl)methyl]urea (CID 103761309) is 1-propan-2-yl-3-[(1-propylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[(1-propylcyclopropyl)methyl]urea?
The canonical SMILES for 1-propan-2-yl-3-[(1-propylcyclopropyl)methyl]urea is CCCC1(CNC(=O)NC(C)C)CC1.
What is the InChIKey of 1-propan-2-yl-3-[(1-propylcyclopropyl)methyl]urea?
The InChIKey is FDHFQSITUBAVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-5-11(6-7-11)8-12-10(14)13-9(2)3/h9H,4-8H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-propan-2-yl-3-[(1-propylcyclopropyl)methyl]urea?
1-propan-2-yl-3-[(1-propylcyclopropyl)methyl]urea has a molecular weight of 198.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[(1-propylcyclopropyl)methyl]urea is sourced from PubChem (CID 103761309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).