1-cyclopentyl-3-[(1-cyclopropylcyclopropyl)methyl]urea

C13H22N2O — CID 103839051

IUPAC1-cyclopentyl-3-[(1-cyclopropylcyclopropyl)methyl]urea
SMILESO=C(NCC1(C2CC2)CC1)NC1CCCC1
InChIInChI=1S/C13H22N2O/c16-12(15-11-3-1-2-4-11)14-9-13(7-8-13)10-5-6-10/h10-11H,1-9H2,(H2,14,15,16)
InChIKeyDYFVVEZIXZQHEK-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.42
Rot. Bonds4

About 1-cyclopentyl-3-[(1-cyclopropylcyclopropyl)methyl]urea

1-cyclopentyl-3-[(1-cyclopropylcyclopropyl)methyl]urea (PubChem CID 103839051) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(1-cyclopropylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(1-cyclopropylcyclopropyl)methyl]urea
PubChem CID103839051
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-cyclopentyl-3-[(1-cyclopropylcyclopropyl)methyl]urea
SMILESO=C(NCC1(C2CC2)CC1)NC1CCCC1
InChIInChI=1S/C13H22N2O/c16-12(15-11-3-1-2-4-11)14-9-13(7-8-13)10-5-6-10/h10-11H,1-9H2,(H2,14,15,16)
InChIKeyDYFVVEZIXZQHEK-UHFFFAOYSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea
CID 103735099
2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164862
1-cyclobutyl-3-[(1-hydroxycyclopentyl)methyl]urea
CID 115642235
1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea
CID 105416058
1-cyclopentyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103793592
1-cyclopentyl-3-(2-oxoethyl)urea
CID 117235815
1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea
CID 115267566
2-[[3-[(1-cyclopropylcyclobutyl)methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122007560
N-[(1-cyclopropylcyclopropyl)methyl]cycloheptanamine
CID 115757794
1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103793976
1-cyclopentyl-3-ethylurea;ethane
CID 145358709
1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
CID 107265907

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(1-cyclopropylcyclopropyl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(1-cyclopropylcyclopropyl)methyl]urea (CID 103839051) is 1-cyclopentyl-3-[(1-cyclopropylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(1-cyclopropylcyclopropyl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(1-cyclopropylcyclopropyl)methyl]urea is O=C(NCC1(C2CC2)CC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[(1-cyclopropylcyclopropyl)methyl]urea?
The InChIKey is DYFVVEZIXZQHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c16-12(15-11-3-1-2-4-11)14-9-13(7-8-13)10-5-6-10/h10-11H,1-9H2,(H2,14,15,16).
What are the key properties of 1-cyclopentyl-3-[(1-cyclopropylcyclopropyl)methyl]urea?
1-cyclopentyl-3-[(1-cyclopropylcyclopropyl)methyl]urea has a molecular weight of 222.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(1-cyclopropylcyclopropyl)methyl]urea is sourced from PubChem (CID 103839051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).