1-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea

C12H23N3O — CID 116658641

IUPAC1-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea
SMILESNCC1CCCCC1NC(=O)NC1CCC1
InChIInChI=1S/C12H23N3O/c13-8-9-4-1-2-7-11(9)15-12(16)14-10-5-3-6-10/h9-11H,1-8,13H2,(H2,14,15,16)
InChIKeyZZBKFLMBTDRSCM-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.36
Rot. Bonds3

About 1-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea

1-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea (PubChem CID 116658641) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea
PubChem CID116658641
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea
SMILESNCC1CCCCC1NC(=O)NC1CCC1
InChIInChI=1S/C12H23N3O/c13-8-9-4-1-2-7-11(9)15-12(16)14-10-5-3-6-10/h9-11H,1-8,13H2,(H2,14,15,16)
InChIKeyZZBKFLMBTDRSCM-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-[(1R,2R)-2-aminocyclohexyl]-3-cyclobutylurea
CID 102724961
[(1S,2R)-2-(aminomethyl)cyclopentyl]urea
CID 94903973
[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566826
[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566827
1-[2-(aminomethyl)cyclohexyl]-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 167830744
1-(2-aminocyclohexyl)-3-cyclohexylurea
CID 61036875
1-cyclobutyl-3-cyclohexylurea
CID 17217147
N-[2-(aminomethyl)cyclohexyl]thiane-4-carboxamide
CID 119612086
4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122024567
N-[2-(aminomethyl)cyclopentyl]pyrrolidine-1-carboxamide
CID 79162307
2-amino-N-[2-(aminomethyl)cyclopentyl]propanamide
CID 130609723
1-[(1S,2R)-2-ethylcyclohexyl]-3-[(1R,3R)-3-methylsulfonylcyclohexyl]urea
CID 100852482

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea?
The IUPAC name of 1-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea (CID 116658641) is 1-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea.
What is the SMILES notation for 1-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea?
The canonical SMILES for 1-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea is NCC1CCCCC1NC(=O)NC1CCC1.
What is the InChIKey of 1-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea?
The InChIKey is ZZBKFLMBTDRSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c13-8-9-4-1-2-7-11(9)15-12(16)14-10-5-3-6-10/h9-11H,1-8,13H2,(H2,14,15,16).
What are the key properties of 1-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea?
1-[2-(aminomethyl)cyclohexyl]-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-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea is sourced from PubChem (CID 116658641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).