1-[1-(aminomethyl)cyclohexyl]-3-cyclobutyl-1-ethylurea

C14H27N3O — CID 116658154

IUPAC1-[1-(aminomethyl)cyclohexyl]-3-cyclobutyl-1-ethylurea
SMILESCCN(C(=O)NC1CCC1)C1(CN)CCCCC1
InChIInChI=1S/C14H27N3O/c1-2-17(13(18)16-12-7-6-8-12)14(11-15)9-4-3-5-10-14/h12H,2-11,15H2,1H3,(H,16,18)
InChIKeyGJMOZVAOEMZOJN-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.23
Rot. Bonds4

About 1-[1-(aminomethyl)cyclohexyl]-3-cyclobutyl-1-ethylurea

1-[1-(aminomethyl)cyclohexyl]-3-cyclobutyl-1-ethylurea (PubChem CID 116658154) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]-3-cyclobutyl-1-ethylurea.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]-3-cyclobutyl-1-ethylurea
PubChem CID116658154
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-[1-(aminomethyl)cyclohexyl]-3-cyclobutyl-1-ethylurea
SMILESCCN(C(=O)NC1CCC1)C1(CN)CCCCC1
InChIInChI=1S/C14H27N3O/c1-2-17(13(18)16-12-7-6-8-12)14(11-15)9-4-3-5-10-14/h12H,2-11,15H2,1H3,(H,16,18)
InChIKeyGJMOZVAOEMZOJN-UHFFFAOYSA-N
XLogP2.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-[1-(aminomethyl)cyclopentyl]-3-cyclobutyl-1-propylurea
CID 116658167
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide
CID 62007948
1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea
CID 116658119
1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea
CID 82504241
1-(aminomethyl)-N-cyclopropyl-N-ethylcyclooctan-1-amine
CID 43264050
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylpyrrolidine-1-carboxamide
CID 79161718
1-(2-aminoethyl)-3-cyclobutyl-1-methylurea
CID 82503265
2-[cyclohexylcarbamoyl(ethyl)amino]acetamide
CID 103101665
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropylacetamide
CID 62007304
1-(aminomethyl)-N,N-diethylcyclododecan-1-amine
CID 29278476
2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(oxan-4-yl)acetamide
CID 63097786
N-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide
CID 62009824

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-3-cyclobutyl-1-ethylurea?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-3-cyclobutyl-1-ethylurea (CID 116658154) is 1-[1-(aminomethyl)cyclohexyl]-3-cyclobutyl-1-ethylurea.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]-3-cyclobutyl-1-ethylurea?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]-3-cyclobutyl-1-ethylurea is CCN(C(=O)NC1CCC1)C1(CN)CCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]-3-cyclobutyl-1-ethylurea?
The InChIKey is GJMOZVAOEMZOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-17(13(18)16-12-7-6-8-12)14(11-15)9-4-3-5-10-14/h12H,2-11,15H2,1H3,(H,16,18).
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]-3-cyclobutyl-1-ethylurea?
1-[1-(aminomethyl)cyclohexyl]-3-cyclobutyl-1-ethylurea has a molecular weight of 253.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclohexyl]-3-cyclobutyl-1-ethylurea is sourced from PubChem (CID 116658154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).