1-(dicyclopropylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

C13H22N2O2 — CID 111618467

IUPAC1-(dicyclopropylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESO=C(NCC1(CO)CC1)NC(C1CC1)C1CC1
InChIInChI=1S/C13H22N2O2/c16-8-13(5-6-13)7-14-12(17)15-11(9-1-2-9)10-3-4-10/h9-11,16H,1-8H2,(H2,14,15,17)
InChIKeyRZDRWXCYALMTBY-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.25
Rot. Bonds6

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

1-(dicyclopropylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (PubChem CID 111618467) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(dicyclopropylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(dicyclopropylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
PubChem CID111618467
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(dicyclopropylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESO=C(NCC1(CO)CC1)NC(C1CC1)C1CC1
InChIInChI=1S/C13H22N2O2/c16-8-13(5-6-13)7-14-12(17)15-11(9-1-2-9)10-3-4-10/h9-11,16H,1-8H2,(H2,14,15,17)
InChIKeyRZDRWXCYALMTBY-UHFFFAOYSA-N
XLogP1.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropyl-2-phenylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618937
1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619002
1-[cyclopropyl-(4-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 71981475
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 115362818
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea
CID 79461046
1-(3,3-dimethylbutan-2-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618872
1-[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 97319276
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(6-methylheptan-2-yl)urea
CID 111618340
1-(5,5-dimethylhexan-2-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618934
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
CID 111573291
2-cyclopropyl-2-[(1-ethylcyclopentyl)methylcarbamoylamino]acetic acid
CID 114126135
1-(4-ethylsulfanylbutan-2-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619080

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(dicyclopropylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (CID 111618467) is 1-(dicyclopropylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(dicyclopropylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(dicyclopropylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is O=C(NCC1(CO)CC1)NC(C1CC1)C1CC1.
What is the InChIKey of 1-(dicyclopropylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The InChIKey is RZDRWXCYALMTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-8-13(5-6-13)7-14-12(17)15-11(9-1-2-9)10-3-4-10/h9-11,16H,1-8H2,(H2,14,15,17).
What are the key properties of 1-(dicyclopropylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
1-(dicyclopropylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea has a molecular weight of 238.33 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 111618467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).