1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea

C13H27N3O — CID 79123170

IUPAC1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea
SMILESCCCNC(=O)N(C)C1CCC(NCC)CC1
InChIInChI=1S/C13H27N3O/c1-4-10-15-13(17)16(3)12-8-6-11(7-9-12)14-5-2/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyOJTKWYLQQZTKRU-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.96
Rot. Bonds5

About 1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea

1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea (PubChem CID 79123170) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea.

Molecular Properties

Compound Name1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea
PubChem CID79123170
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea
SMILESCCCNC(=O)N(C)C1CCC(NCC)CC1
InChIInChI=1S/C13H27N3O/c1-4-10-15-13(17)16(3)12-8-6-11(7-9-12)14-5-2/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyOJTKWYLQQZTKRU-UHFFFAOYSA-N
XLogP1.96
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-1-methyl-1-[4-(propylamino)cyclohexyl]urea
CID 79122872
1-cyclopentyl-1-methyl-3-propylurea
CID 115575080
1-methyl-1-piperidin-4-yl-3-propylurea
CID 20569907
1-[4-(ethylamino)cyclohexyl]-1-methylurea
CID 79122178
1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea
CID 79122790
N-[4-(ethylamino)cyclohexyl]-N-methylcyclopropanecarboxamide
CID 79122712
1-cyclopropyl-3-(2-hydroxyethyl)-1-methylurea
CID 131224318
N-methyl-N-[4-(propylamino)cyclohexyl]propanamide
CID 79122945
1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea
CID 79153266
ethyl N-[4-(ethylamino)cyclohexyl]-N-methylcarbamate
CID 79122099
3-(2-chloroethyl)-1-cyclopropyl-1-methylurea
CID 131224317
2-cyclopropyl-N-methyl-N-[4-(propylamino)cyclohexyl]propanamide
CID 83146539

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea?
The IUPAC name of 1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea (CID 79123170) is 1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea.
What is the SMILES notation for 1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea?
The canonical SMILES for 1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea is CCCNC(=O)N(C)C1CCC(NCC)CC1.
What is the InChIKey of 1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea?
The InChIKey is OJTKWYLQQZTKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-10-15-13(17)16(3)12-8-6-11(7-9-12)14-5-2/h11-12,14H,4-10H2,1-3H3,(H,15,17).
What are the key properties of 1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea?
1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea has a molecular weight of 241.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea is sourced from PubChem (CID 79123170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).