1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea

C14H27N3O — CID 79121066

IUPAC1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea
SMILESCN(C(=O)NC1CCCCC1)C1CCC(N)CC1
InChIInChI=1S/C14H27N3O/c1-17(13-9-7-11(15)8-10-13)14(18)16-12-5-3-2-4-6-12/h11-13H,2-10,15H2,1H3,(H,16,18)
InChIKeyCISMGLJAYAABAT-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.23
Rot. Bonds2

About 1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea

1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea (PubChem CID 79121066) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea
PubChem CID79121066
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea
SMILESCN(C(=O)NC1CCCCC1)C1CCC(N)CC1
InChIInChI=1S/C14H27N3O/c1-17(13-9-7-11(15)8-10-13)14(18)16-12-5-3-2-4-6-12/h11-13H,2-10,15H2,1H3,(H,16,18)
InChIKeyCISMGLJAYAABAT-UHFFFAOYSA-N
XLogP2.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyanocyclohexyl)-3-cyclohexyl-1-methylurea
CID 115270228
3-cyclohexyl-1-methyl-1-(4-oxocyclohexyl)urea
CID 79120718
2-[(4-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide
CID 79120936
1-(azepan-4-yl)-3-cyclohexyl-1-methylurea
CID 107172653
4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61201100
4-[[cyclooctyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024931
3-cyclohexyl-1-methyl-1-pyrrolidin-3-ylurea
CID 60805183
3-(1-acetylpiperidin-4-yl)-1-cyclohexyl-1-methylurea
CID 47240964
3-cyclohexyl-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 47108060
1-cyclopropyl-1-methyl-3-(3-methylcyclobutyl)urea
CID 130718605
2-[(4-aminocyclohexyl)-ethylamino]-N-cyclohexylpropanamide
CID 79114794
1-cycloheptyl-3-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 47237189

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea?
The IUPAC name of 1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea (CID 79121066) is 1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea.
What is the SMILES notation for 1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea?
The canonical SMILES for 1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea is CN(C(=O)NC1CCCCC1)C1CCC(N)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea?
The InChIKey is CISMGLJAYAABAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-17(13-9-7-11(15)8-10-13)14(18)16-12-5-3-2-4-6-12/h11-13H,2-10,15H2,1H3,(H,16,18).
What are the key properties of 1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea?
1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea has a molecular weight of 253.39 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea is sourced from PubChem (CID 79121066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).