2-[2-(oxolan-2-yl)ethyl]azepane

C12H23NO — CID 65165343

IUPAC2-[2-(oxolan-2-yl)ethyl]azepane
SMILESC1CCNC(CCC2CCCO2)CC1
InChIInChI=1S/C12H23NO/c1-2-5-11(13-9-3-1)7-8-12-6-4-10-14-12/h11-13H,1-10H2
InChIKeyDVRXQULWDMAXLW-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.48
Rot. Bonds3

About 2-[2-(oxolan-2-yl)ethyl]azepane

2-[2-(oxolan-2-yl)ethyl]azepane (PubChem CID 65165343) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[2-(oxolan-2-yl)ethyl]azepane.

Molecular Properties

Compound Name2-[2-(oxolan-2-yl)ethyl]azepane
PubChem CID65165343
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[2-(oxolan-2-yl)ethyl]azepane
SMILESC1CCNC(CCC2CCCO2)CC1
InChIInChI=1S/C12H23NO/c1-2-5-11(13-9-3-1)7-8-12-6-4-10-14-12/h11-13H,1-10H2
InChIKeyDVRXQULWDMAXLW-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(oxolan-2-yl)propyl]azepane
CID 65165342
2-[2-[2-(oxolan-2-yl)ethoxy]ethyl]piperidine
CID 65163156
N-(azocan-2-ylmethyl)-2-(oxolan-2-yl)ethanamine
CID 114240359
N-[2-(oxolan-2-yl)ethyl]-3-piperidin-2-ylpropan-1-amine
CID 62214311
2-[2-(oxolan-2-ylmethoxy)ethyl]piperidine
CID 43149956
(2R)-2-[2-(1,3-dioxan-2-yl)ethyl]piperidine
CID 10655617
6-(oxolan-2-yl)-1-piperidin-2-ylhexan-3-one
CID 116563772
2-(oxolan-2-ylmethylsulfanylmethyl)piperidine
CID 106495458
2-[2-(oxan-2-ylmethoxy)ethyl]piperidine
CID 43149954
1-(azocan-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)methanamine
CID 114240339
(2R)-2-[2-(1,3-dioxolan-2-yl)ethyl]piperidine
CID 10559432
N-[3-(oxolan-2-yl)propyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631701

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-2-yl)ethyl]azepane?
The IUPAC name of 2-[2-(oxolan-2-yl)ethyl]azepane (CID 65165343) is 2-[2-(oxolan-2-yl)ethyl]azepane.
What is the SMILES notation for 2-[2-(oxolan-2-yl)ethyl]azepane?
The canonical SMILES for 2-[2-(oxolan-2-yl)ethyl]azepane is C1CCNC(CCC2CCCO2)CC1.
What is the InChIKey of 2-[2-(oxolan-2-yl)ethyl]azepane?
The InChIKey is DVRXQULWDMAXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-5-11(13-9-3-1)7-8-12-6-4-10-14-12/h11-13H,1-10H2.
What are the key properties of 2-[2-(oxolan-2-yl)ethyl]azepane?
2-[2-(oxolan-2-yl)ethyl]azepane has a molecular weight of 197.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-2-yl)ethyl]azepane is sourced from PubChem (CID 65165343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).