1-[2-(aminomethyl)cyclohexyl]-2-(oxan-4-yl)ethanone

C14H25NO2 — CID 116584632

IUPAC1-[2-(aminomethyl)cyclohexyl]-2-(oxan-4-yl)ethanone
SMILESNCC1CCCCC1C(=O)CC1CCOCC1
InChIInChI=1S/C14H25NO2/c15-10-12-3-1-2-4-13(12)14(16)9-11-5-7-17-8-6-11/h11-13H,1-10,15H2
InChIKeyVOKAPYHNJANCSB-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.14
Rot. Bonds4

About 1-[2-(aminomethyl)cyclohexyl]-2-(oxan-4-yl)ethanone

1-[2-(aminomethyl)cyclohexyl]-2-(oxan-4-yl)ethanone (PubChem CID 116584632) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclohexyl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclohexyl]-2-(oxan-4-yl)ethanone
PubChem CID116584632
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-[2-(aminomethyl)cyclohexyl]-2-(oxan-4-yl)ethanone
SMILESNCC1CCCCC1C(=O)CC1CCOCC1
InChIInChI=1S/C14H25NO2/c15-10-12-3-1-2-4-13(12)14(16)9-11-5-7-17-8-6-11/h11-13H,1-10,15H2
InChIKeyVOKAPYHNJANCSB-UHFFFAOYSA-N
XLogP2.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)cyclopentyl]-2-(oxan-4-yl)ethanone
CID 116584347
1-[2-(aminomethyl)cyclopentyl]-2-cyclohexylethanone
CID 116584345
1-(4-aminooxolan-3-yl)-2-(oxan-4-yl)ethanone
CID 116587534
1-(7-bicyclo[4.1.0]heptanyl)-2-(oxan-4-yl)ethanone
CID 114969184
1-(2-aminocyclopentyl)-2-cyclopentylethanone
CID 116580222
1-(3-aminocyclobutyl)-2-(oxan-4-yl)ethanone
CID 157249668
1-[2-(aminomethyl)cyclohexyl]pent-3-yn-1-one
CID 116584514
1-[2-(aminomethyl)cyclohexyl]octan-1-one
CID 116584516
2-(aminomethyl)-N-morpholin-4-ylcyclopentane-1-carboxamide
CID 83015994
1-[2-(aminomethyl)cyclohexyl]-3-methylsulfonylpropan-1-one
CID 116584697
1-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylpropan-1-one
CID 106736580
1-[2-(aminomethyl)cyclopentyl]but-3-en-1-one
CID 116584185

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclohexyl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)cyclohexyl]-2-(oxan-4-yl)ethanone (CID 116584632) is 1-[2-(aminomethyl)cyclohexyl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)cyclohexyl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)cyclohexyl]-2-(oxan-4-yl)ethanone is NCC1CCCCC1C(=O)CC1CCOCC1.
What is the InChIKey of 1-[2-(aminomethyl)cyclohexyl]-2-(oxan-4-yl)ethanone?
The InChIKey is VOKAPYHNJANCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c15-10-12-3-1-2-4-13(12)14(16)9-11-5-7-17-8-6-11/h11-13H,1-10,15H2.
What are the key properties of 1-[2-(aminomethyl)cyclohexyl]-2-(oxan-4-yl)ethanone?
1-[2-(aminomethyl)cyclohexyl]-2-(oxan-4-yl)ethanone has a molecular weight of 239.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cyclohexyl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 116584632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).