[4-(aminomethyl)oxan-4-yl]-cyclopentylmethanone

C12H21NO2 — CID 116602976

IUPAC[4-(aminomethyl)oxan-4-yl]-cyclopentylmethanone
SMILESNCC1(C(=O)C2CCCC2)CCOCC1
InChIInChI=1S/C12H21NO2/c13-9-12(5-7-15-8-6-12)11(14)10-3-1-2-4-10/h10H,1-9,13H2
InChIKeyHESHXGKBEYSUKH-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.50
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-cyclopentylmethanone

[4-(aminomethyl)oxan-4-yl]-cyclopentylmethanone (PubChem CID 116602976) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-cyclopentylmethanone
PubChem CID116602976
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name[4-(aminomethyl)oxan-4-yl]-cyclopentylmethanone
SMILESNCC1(C(=O)C2CCCC2)CCOCC1
InChIInChI=1S/C12H21NO2/c13-9-12(5-7-15-8-6-12)11(14)10-3-1-2-4-10/h10H,1-9,13H2
InChIKeyHESHXGKBEYSUKH-UHFFFAOYSA-N
XLogP1.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclobutyl]-cyclopentylmethanone
CID 116600201
[4-(aminomethyl)oxan-4-yl]-(3,5-dimethylcyclohexyl)methanone
CID 116603187
[1-(aminomethyl)-4-methylcyclohexyl]-(oxan-3-yl)methanone
CID 107138477
[4-(aminomethyl)oxan-4-yl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116603224
1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylic acid
CID 115439352
(3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid
CID 115439749
4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide
CID 107221619
4-(aminomethyl)-N-cyclopropylsulfonyloxane-4-carboxamide
CID 103308370
[4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 62367937
(2-methylcyclohexyl) 4-(aminomethyl)oxane-4-carboxylate
CID 115440228
[1-(aminomethyl)cyclopentyl]-(4-ethylcyclohexyl)methanone
CID 116600979
4-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]oxane-4-carboxamide
CID 115439786

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-cyclopentylmethanone?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-cyclopentylmethanone (CID 116602976) is [4-(aminomethyl)oxan-4-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-cyclopentylmethanone?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-cyclopentylmethanone is NCC1(C(=O)C2CCCC2)CCOCC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-cyclopentylmethanone?
The InChIKey is HESHXGKBEYSUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c13-9-12(5-7-15-8-6-12)11(14)10-3-1-2-4-10/h10H,1-9,13H2.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-cyclopentylmethanone?
[4-(aminomethyl)oxan-4-yl]-cyclopentylmethanone has a molecular weight of 211.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-cyclopentylmethanone is sourced from PubChem (CID 116602976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).