1-methyl-1-[4-(methylamino)cyclohexyl]urea

C9H19N3O — CID 79123173

IUPAC1-methyl-1-[4-(methylamino)cyclohexyl]urea
SMILESCNC1CCC(N(C)C(N)=O)CC1
InChIInChI=1S/C9H19N3O/c1-11-7-3-5-8(6-4-7)12(2)9(10)13/h7-8,11H,3-6H2,1-2H3,(H2,10,13)
InChIKeySHMQFBXEVMNUEB-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.53
Rot. Bonds2

About 1-methyl-1-[4-(methylamino)cyclohexyl]urea

1-methyl-1-[4-(methylamino)cyclohexyl]urea (PubChem CID 79123173) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-methyl-1-[4-(methylamino)cyclohexyl]urea.

Molecular Properties

Compound Name1-methyl-1-[4-(methylamino)cyclohexyl]urea
PubChem CID79123173
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-methyl-1-[4-(methylamino)cyclohexyl]urea
SMILESCNC1CCC(N(C)C(N)=O)CC1
InChIInChI=1S/C9H19N3O/c1-11-7-3-5-8(6-4-7)12(2)9(10)13/h7-8,11H,3-6H2,1-2H3,(H2,10,13)
InChIKeySHMQFBXEVMNUEB-UHFFFAOYSA-N
XLogP0.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(ethylamino)cyclohexyl]-1-methylurea
CID 79122178
1-cyclooctyl-1-methylurea
CID 126989312
1-(4-ethylcyclohexyl)-1-methylurea
CID 61449062
N,3,3-trimethyl-N-[4-(methylamino)cyclohexyl]butanamide
CID 79122316
tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride
CID 18397394
4,4,4-trifluoro-N-methyl-N-[4-(methylamino)cyclohexyl]butanamide
CID 79120537
N,3,6-trimethyl-N-[4-(methylamino)cyclohexyl]pyridazine-4-carboxamide
CID 104668822
N,N-dimethyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]acetamide
CID 79122060
[4-(dimethylamino)cyclohexyl]urea
CID 59286114
N,3-dimethyl-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
CID 79110528
2-[cyclopropyl(methyl)amino]but-2-enamide
CID 154464636
4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-cyclopropylbutanamide
CID 110030235

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[4-(methylamino)cyclohexyl]urea?
The IUPAC name of 1-methyl-1-[4-(methylamino)cyclohexyl]urea (CID 79123173) is 1-methyl-1-[4-(methylamino)cyclohexyl]urea.
What is the SMILES notation for 1-methyl-1-[4-(methylamino)cyclohexyl]urea?
The canonical SMILES for 1-methyl-1-[4-(methylamino)cyclohexyl]urea is CNC1CCC(N(C)C(N)=O)CC1.
What is the InChIKey of 1-methyl-1-[4-(methylamino)cyclohexyl]urea?
The InChIKey is SHMQFBXEVMNUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-11-7-3-5-8(6-4-7)12(2)9(10)13/h7-8,11H,3-6H2,1-2H3,(H2,10,13).
What are the key properties of 1-methyl-1-[4-(methylamino)cyclohexyl]urea?
1-methyl-1-[4-(methylamino)cyclohexyl]urea has a molecular weight of 185.27 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[4-(methylamino)cyclohexyl]urea is sourced from PubChem (CID 79123173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).