1-[4-(ethylamino)cyclohexyl]-1-methylurea

C10H21N3O — CID 79122178

IUPAC1-[4-(ethylamino)cyclohexyl]-1-methylurea
SMILESCCNC1CCC(N(C)C(N)=O)CC1
InChIInChI=1S/C10H21N3O/c1-3-12-8-4-6-9(7-5-8)13(2)10(11)14/h8-9,12H,3-7H2,1-2H3,(H2,11,14)
InChIKeyAVKKOSVWDMCFKK-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.92
Rot. Bonds3

About 1-[4-(ethylamino)cyclohexyl]-1-methylurea

1-[4-(ethylamino)cyclohexyl]-1-methylurea (PubChem CID 79122178) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-[4-(ethylamino)cyclohexyl]-1-methylurea.

Molecular Properties

Compound Name1-[4-(ethylamino)cyclohexyl]-1-methylurea
PubChem CID79122178
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-[4-(ethylamino)cyclohexyl]-1-methylurea
SMILESCCNC1CCC(N(C)C(N)=O)CC1
InChIInChI=1S/C10H21N3O/c1-3-12-8-4-6-9(7-5-8)13(2)10(11)14/h8-9,12H,3-7H2,1-2H3,(H2,11,14)
InChIKeyAVKKOSVWDMCFKK-UHFFFAOYSA-N
XLogP0.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)cyclohexyl]-1-methylurea?
The IUPAC name of 1-[4-(ethylamino)cyclohexyl]-1-methylurea (CID 79122178) is 1-[4-(ethylamino)cyclohexyl]-1-methylurea.
What is the SMILES notation for 1-[4-(ethylamino)cyclohexyl]-1-methylurea?
The canonical SMILES for 1-[4-(ethylamino)cyclohexyl]-1-methylurea is CCNC1CCC(N(C)C(N)=O)CC1.
What is the InChIKey of 1-[4-(ethylamino)cyclohexyl]-1-methylurea?
The InChIKey is AVKKOSVWDMCFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-12-8-4-6-9(7-5-8)13(2)10(11)14/h8-9,12H,3-7H2,1-2H3,(H2,11,14).
What are the key properties of 1-[4-(ethylamino)cyclohexyl]-1-methylurea?
1-[4-(ethylamino)cyclohexyl]-1-methylurea has a molecular weight of 199.30 g/mol, XLogP of 0.92, 3 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-methylurea is sourced from PubChem (CID 79122178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).