1-[2-(aminomethyl)cyclopentyl]-2-cyclohexylethanone

C14H25NO — CID 116584345

IUPAC1-[2-(aminomethyl)cyclopentyl]-2-cyclohexylethanone
SMILESNCC1CCCC1C(=O)CC1CCCCC1
InChIInChI=1S/C14H25NO/c15-10-12-7-4-8-13(12)14(16)9-11-5-2-1-3-6-11/h11-13H,1-10,15H2
InChIKeySINZMWVRSPLBBY-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.90
Rot. Bonds4

About 1-[2-(aminomethyl)cyclopentyl]-2-cyclohexylethanone

1-[2-(aminomethyl)cyclopentyl]-2-cyclohexylethanone (PubChem CID 116584345) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclopentyl]-2-cyclohexylethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclopentyl]-2-cyclohexylethanone
PubChem CID116584345
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-[2-(aminomethyl)cyclopentyl]-2-cyclohexylethanone
SMILESNCC1CCCC1C(=O)CC1CCCCC1
InChIInChI=1S/C14H25NO/c15-10-12-7-4-8-13(12)14(16)9-11-5-2-1-3-6-11/h11-13H,1-10,15H2
InChIKeySINZMWVRSPLBBY-UHFFFAOYSA-N
XLogP2.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)cyclopentyl]-2-(oxan-4-yl)ethanone
CID 116584347
1-[2-(aminomethyl)cyclohexyl]-2-(oxan-4-yl)ethanone
CID 116584632
1-(2-aminocyclopentyl)-2-cyclopentylethanone
CID 116580222
[(1S,2R)-2-(aminomethyl)cyclopentyl]-cyclohexylmethanone
CID 130649723
1-[2-(aminomethyl)cyclopentyl]but-3-en-1-one
CID 116584185
1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone
CID 131112690
2-cyclobutylethyl 2-(aminomethyl)cyclopentane-1-carboxylate
CID 106203035
2-cyclodecylacetamide
CID 150110792
1-[2-(aminomethyl)cyclohexyl]pent-3-yn-1-one
CID 116584514
1-[2-(aminomethyl)cyclohexyl]octan-1-one
CID 116584516
1-[2-(aminomethyl)cyclohexyl]-3-methylsulfonylpropan-1-one
CID 116584697
1-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylpropan-1-one
CID 106736580

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclopentyl]-2-cyclohexylethanone?
The IUPAC name of 1-[2-(aminomethyl)cyclopentyl]-2-cyclohexylethanone (CID 116584345) is 1-[2-(aminomethyl)cyclopentyl]-2-cyclohexylethanone.
What is the SMILES notation for 1-[2-(aminomethyl)cyclopentyl]-2-cyclohexylethanone?
The canonical SMILES for 1-[2-(aminomethyl)cyclopentyl]-2-cyclohexylethanone is NCC1CCCC1C(=O)CC1CCCCC1.
What is the InChIKey of 1-[2-(aminomethyl)cyclopentyl]-2-cyclohexylethanone?
The InChIKey is SINZMWVRSPLBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c15-10-12-7-4-8-13(12)14(16)9-11-5-2-1-3-6-11/h11-13H,1-10,15H2.
What are the key properties of 1-[2-(aminomethyl)cyclopentyl]-2-cyclohexylethanone?
1-[2-(aminomethyl)cyclopentyl]-2-cyclohexylethanone has a molecular weight of 223.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cyclopentyl]-2-cyclohexylethanone is sourced from PubChem (CID 116584345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).