2-[1-(aminomethyl)cyclohexyl]-1-(cyclohexen-1-yl)ethanone

C15H25NO — CID 106655745

IUPAC2-[1-(aminomethyl)cyclohexyl]-1-(cyclohexen-1-yl)ethanone
SMILESNCC1(CC(=O)C2=CCCCC2)CCCCC1
InChIInChI=1S/C15H25NO/c16-12-15(9-5-2-6-10-15)11-14(17)13-7-3-1-4-8-13/h7H,1-6,8-12,16H2
InChIKeyRODWWUILACCQJF-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.36
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-1-(cyclohexen-1-yl)ethanone

2-[1-(aminomethyl)cyclohexyl]-1-(cyclohexen-1-yl)ethanone (PubChem CID 106655745) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-1-(cyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-1-(cyclohexen-1-yl)ethanone
PubChem CID106655745
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-1-(cyclohexen-1-yl)ethanone
SMILESNCC1(CC(=O)C2=CCCCC2)CCCCC1
InChIInChI=1S/C15H25NO/c16-12-15(9-5-2-6-10-15)11-14(17)13-7-3-1-4-8-13/h7H,1-6,8-12,16H2
InChIKeyRODWWUILACCQJF-UHFFFAOYSA-N
XLogP3.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
[1-(aminomethyl)cyclobutyl]-(cycloocten-1-yl)methanone
CID 106655611
1-(cyclopenten-1-yl)-2-(1-methylcyclopentyl)ethanone
CID 130578340
cycloheptene-1-carboxamide
CID 22261654
cyclohexen-1-yl-(1-hydroxycyclopentyl)methanone
CID 106652335
2-(2-aminoethoxy)-1-(cyclohexen-1-yl)ethanone
CID 106655526
2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide
CID 66875980
2-cyclohexyl-1-(cycloocten-1-yl)ethanone
CID 106655870
3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one
CID 106655429
2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone
CID 106655576
sodium;2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrate
CID 18668043
2-[1-(aminomethyl)cyclohexyl]-1-(3-chlorophenyl)ethanone
CID 116614429

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-(cyclohexen-1-yl)ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-(cyclohexen-1-yl)ethanone (CID 106655745) is 2-[1-(aminomethyl)cyclohexyl]-1-(cyclohexen-1-yl)ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-1-(cyclohexen-1-yl)ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-1-(cyclohexen-1-yl)ethanone is NCC1(CC(=O)C2=CCCCC2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-1-(cyclohexen-1-yl)ethanone?
The InChIKey is RODWWUILACCQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c16-12-15(9-5-2-6-10-15)11-14(17)13-7-3-1-4-8-13/h7H,1-6,8-12,16H2.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-1-(cyclohexen-1-yl)ethanone?
2-[1-(aminomethyl)cyclohexyl]-1-(cyclohexen-1-yl)ethanone has a molecular weight of 235.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-1-(cyclohexen-1-yl)ethanone is sourced from PubChem (CID 106655745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).