1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea

C12H23N3O — CID 106125254

IUPAC1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea
SMILESNC1CCCC(CNC(=O)NC2CCC2)C1
InChIInChI=1S/C12H23N3O/c13-10-4-1-3-9(7-10)8-14-12(16)15-11-5-2-6-11/h9-11H,1-8,13H2,(H2,14,15,16)
InChIKeyHTUAYXGDMJCZKY-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.36
Rot. Bonds3

About 1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea

1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea (PubChem CID 106125254) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea.

Molecular Properties

Compound Name1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea
PubChem CID106125254
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea
SMILESNC1CCCC(CNC(=O)NC2CCC2)C1
InChIInChI=1S/C12H23N3O/c13-10-4-1-3-9(7-10)8-14-12(16)15-11-5-2-6-11/h9-11H,1-8,13H2,(H2,14,15,16)
InChIKeyHTUAYXGDMJCZKY-UHFFFAOYSA-N
XLogP1.36
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea
CID 165447997
1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 26974860
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
1-(cyclooctylmethyl)-3-cyclopropylurea
CID 87025156
N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 114146502
N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide
CID 106123088
2-(3-aminocyclohexyl)-N-cyclooctylacetamide
CID 55116896
1-[(3-aminocyclobutyl)methyl]-3-[4-(dimethylamino)cyclohexyl]urea
CID 146109282
1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 113226526
N-[(3-aminocyclohexyl)methyl]azepane-1-carboxamide
CID 106125214
N-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide
CID 106123817
N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide
CID 106123693

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea?
The IUPAC name of 1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea (CID 106125254) is 1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea.
What is the SMILES notation for 1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea?
The canonical SMILES for 1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea is NC1CCCC(CNC(=O)NC2CCC2)C1.
What is the InChIKey of 1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea?
The InChIKey is HTUAYXGDMJCZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c13-10-4-1-3-9(7-10)8-14-12(16)15-11-5-2-6-11/h9-11H,1-8,13H2,(H2,14,15,16).
What are the key properties of 1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea?
1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea has a molecular weight of 225.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea is sourced from PubChem (CID 106125254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).