4-(oxolan-2-ylmethoxy)cyclohexan-1-amine

C11H21NO2 — CID 62806705

IUPAC4-(oxolan-2-ylmethoxy)cyclohexan-1-amine
SMILESNC1CCC(OCC2CCCO2)CC1
InChIInChI=1S/C11H21NO2/c12-9-3-5-10(6-4-9)14-8-11-2-1-7-13-11/h9-11H,1-8,12H2
InChIKeyPOHKYBHQROZHJK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.45
Rot. Bonds3

About 4-(oxolan-2-ylmethoxy)cyclohexan-1-amine

4-(oxolan-2-ylmethoxy)cyclohexan-1-amine (PubChem CID 62806705) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)cyclohexan-1-amine
PubChem CID62806705
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-(oxolan-2-ylmethoxy)cyclohexan-1-amine
SMILESNC1CCC(OCC2CCCO2)CC1
InChIInChI=1S/C11H21NO2/c12-9-3-5-10(6-4-9)14-8-11-2-1-7-13-11/h9-11H,1-8,12H2
InChIKeyPOHKYBHQROZHJK-UHFFFAOYSA-N
XLogP1.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(oxolan-2-ylmethoxy)piperidine;hydrochloride
CID 45074945
3-(oxolan-2-ylmethoxy)oxane
CID 71311379
(3S)-3-[[(2R)-oxolan-2-yl]methoxy]pyrrolidine
CID 26191909
N-[2-(4-aminocyclohexyl)oxyethyl]-2-(oxolan-2-yl)acetamide
CID 65160094
3-(oxolan-2-ylmethoxy)cyclopentan-1-one
CID 79643554
3-(oxolan-2-ylmethoxy)cyclohexan-1-ol
CID 79618250
2-[(3-chlorocyclobutyl)oxymethyl]oxane
CID 66345100
[(2S)-oxolan-2-yl]methoxymethanamine
CID 126553312
2-methoxy-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine
CID 104674491
2-(oxan-2-ylmethoxy)cyclododecan-1-amine
CID 43099703
3-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]propanenitrile
CID 96926614
1-(2-bromoprop-2-enyl)-4-[[(2S)-oxolan-2-yl]methoxy]piperidine
CID 96979784

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)cyclohexan-1-amine?
The IUPAC name of 4-(oxolan-2-ylmethoxy)cyclohexan-1-amine (CID 62806705) is 4-(oxolan-2-ylmethoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)cyclohexan-1-amine?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)cyclohexan-1-amine is NC1CCC(OCC2CCCO2)CC1.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)cyclohexan-1-amine?
The InChIKey is POHKYBHQROZHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c12-9-3-5-10(6-4-9)14-8-11-2-1-7-13-11/h9-11H,1-8,12H2.
What are the key properties of 4-(oxolan-2-ylmethoxy)cyclohexan-1-amine?
4-(oxolan-2-ylmethoxy)cyclohexan-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethoxy)cyclohexan-1-amine is sourced from PubChem (CID 62806705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).