1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea

C10H20N2O2 — CID 111573291

IUPAC1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NCC1(CO)CC1
InChIInChI=1S/C10H20N2O2/c1-8(2)5-11-9(14)12-6-10(7-13)3-4-10/h8,13H,3-7H2,1-2H3,(H2,11,12,14)
InChIKeyBUQJKCKEIQRSEC-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.71
Rot. Bonds5

About 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea (PubChem CID 111573291) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
PubChem CID111573291
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NCC1(CO)CC1
InChIInChI=1S/C10H20N2O2/c1-8(2)5-11-9(14)12-6-10(7-13)3-4-10/h8,13H,3-7H2,1-2H3,(H2,11,12,14)
InChIKeyBUQJKCKEIQRSEC-UHFFFAOYSA-N
XLogP0.71
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea
CID 79461046
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 115362818
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(6-methylheptan-2-yl)urea
CID 111618340
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(2-methylpropyl)propanamide
CID 113293813
1-(3,3-dimethylbutan-2-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618872
1-(5,5-dimethylhexan-2-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618934
1-[2-(2-fluorophenoxy)propyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619056
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618588
4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbutanamide
CID 115454930
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111618731
1-[[4-[(dimethylamino)methyl]-1-ethylpiperidin-4-yl]methyl]-3-(2-methylpropyl)urea
CID 148871995
1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619002

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea (CID 111573291) is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea is CC(C)CNC(=O)NCC1(CO)CC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea?
The InChIKey is BUQJKCKEIQRSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)5-11-9(14)12-6-10(7-13)3-4-10/h8,13H,3-7H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea?
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea has a molecular weight of 200.28 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 111573291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).