1-cyclohexyl-1-cyclopropyl-3-propylurea

C13H24N2O — CID 110874883

IUPAC1-cyclohexyl-1-cyclopropyl-3-propylurea
SMILESCCCNC(=O)N(C1CCCCC1)C1CC1
InChIInChI=1S/C13H24N2O/c1-2-10-14-13(16)15(12-8-9-12)11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyIVUGEYBHVSLHGM-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.90
Rot. Bonds4

About 1-cyclohexyl-1-cyclopropyl-3-propylurea

1-cyclohexyl-1-cyclopropyl-3-propylurea (PubChem CID 110874883) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-cyclohexyl-1-cyclopropyl-3-propylurea.

Molecular Properties

Compound Name1-cyclohexyl-1-cyclopropyl-3-propylurea
PubChem CID110874883
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-cyclohexyl-1-cyclopropyl-3-propylurea
SMILESCCCNC(=O)N(C1CCCCC1)C1CC1
InChIInChI=1S/C13H24N2O/c1-2-10-14-13(16)15(12-8-9-12)11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyIVUGEYBHVSLHGM-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-1-(oxan-4-yl)-3-propylurea
CID 110874794
1-cyclopentyl-1-methyl-3-propylurea
CID 115575080
1-(cyclohexylmethyl)-1-methyl-3-propylurea
CID 115583089
2-[cyclopropyl(propylcarbamoyl)amino]acetic acid
CID 60828450
N-propylcyclooctanecarboxamide
CID 65022755
2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide
CID 40706145
1-methyl-1-piperidin-3-yl-3-propylurea
CID 60800516
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
3-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-1-methylurea
CID 115613946
1-(4-aminocyclohexyl)-1,3-dipropylurea
CID 79111587
1-(cyclopropylmethyl)-1-ethyl-3-propylurea
CID 115622668
1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea
CID 116655563

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-cyclopropyl-3-propylurea?
The IUPAC name of 1-cyclohexyl-1-cyclopropyl-3-propylurea (CID 110874883) is 1-cyclohexyl-1-cyclopropyl-3-propylurea.
What is the SMILES notation for 1-cyclohexyl-1-cyclopropyl-3-propylurea?
The canonical SMILES for 1-cyclohexyl-1-cyclopropyl-3-propylurea is CCCNC(=O)N(C1CCCCC1)C1CC1.
What is the InChIKey of 1-cyclohexyl-1-cyclopropyl-3-propylurea?
The InChIKey is IVUGEYBHVSLHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-10-14-13(16)15(12-8-9-12)11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,14,16).
What are the key properties of 1-cyclohexyl-1-cyclopropyl-3-propylurea?
1-cyclohexyl-1-cyclopropyl-3-propylurea has a molecular weight of 224.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-cyclopropyl-3-propylurea is sourced from PubChem (CID 110874883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).