1-cyclopentyl-1-methyl-3-propylurea

C10H20N2O — CID 115575080

IUPAC1-cyclopentyl-1-methyl-3-propylurea
SMILESCCCNC(=O)N(C)C1CCCC1
InChIInChI=1S/C10H20N2O/c1-3-8-11-10(13)12(2)9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyLHBYXEZAURPYGD-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.98
Rot. Bonds3

About 1-cyclopentyl-1-methyl-3-propylurea

1-cyclopentyl-1-methyl-3-propylurea (PubChem CID 115575080) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-cyclopentyl-1-methyl-3-propylurea.

Molecular Properties

Compound Name1-cyclopentyl-1-methyl-3-propylurea
PubChem CID115575080
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-cyclopentyl-1-methyl-3-propylurea
SMILESCCCNC(=O)N(C)C1CCCC1
InChIInChI=1S/C10H20N2O/c1-3-8-11-10(13)12(2)9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyLHBYXEZAURPYGD-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

1-methyl-1-piperidin-4-yl-3-propylurea
CID 20569907
1-methyl-1-piperidin-3-yl-3-propylurea
CID 60800516
3-(2-aminoethyl)-1-cycloheptyl-1-methylurea
CID 82508731
1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea
CID 79123170
1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea
CID 116655563
1-cyclohexyl-1-cyclopropyl-3-propylurea
CID 110874883
1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea
CID 78892469
1-cyclopropyl-3-(2-hydroxyethyl)-1-methylurea
CID 131224318
7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid
CID 61201091
3-butyl-1-methyl-1-[4-(propylamino)cyclohexyl]urea
CID 79122872
3-(2-chloroethyl)-1-cyclopropyl-1-methylurea
CID 131224317
1-(cyclohexylmethyl)-1-methyl-3-propylurea
CID 115583089

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-methyl-3-propylurea?
The IUPAC name of 1-cyclopentyl-1-methyl-3-propylurea (CID 115575080) is 1-cyclopentyl-1-methyl-3-propylurea.
What is the SMILES notation for 1-cyclopentyl-1-methyl-3-propylurea?
The canonical SMILES for 1-cyclopentyl-1-methyl-3-propylurea is CCCNC(=O)N(C)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-1-methyl-3-propylurea?
The InChIKey is LHBYXEZAURPYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-8-11-10(13)12(2)9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of 1-cyclopentyl-1-methyl-3-propylurea?
1-cyclopentyl-1-methyl-3-propylurea has a molecular weight of 184.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-methyl-3-propylurea is sourced from PubChem (CID 115575080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).