2-[3-(oxolan-2-yl)propyl]azepane

C13H25NO — CID 65165342

IUPAC2-[3-(oxolan-2-yl)propyl]azepane
SMILESC1CCNC(CCCC2CCCO2)CC1
InChIInChI=1S/C13H25NO/c1-2-6-12(14-10-3-1)7-4-8-13-9-5-11-15-13/h12-14H,1-11H2
InChIKeyGYMSRCOUYLAFRW-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.87
Rot. Bonds4

About 2-[3-(oxolan-2-yl)propyl]azepane

2-[3-(oxolan-2-yl)propyl]azepane (PubChem CID 65165342) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-[3-(oxolan-2-yl)propyl]azepane.

Molecular Properties

Compound Name2-[3-(oxolan-2-yl)propyl]azepane
PubChem CID65165342
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-[3-(oxolan-2-yl)propyl]azepane
SMILESC1CCNC(CCCC2CCCO2)CC1
InChIInChI=1S/C13H25NO/c1-2-6-12(14-10-3-1)7-4-8-13-9-5-11-15-13/h12-14H,1-11H2
InChIKeyGYMSRCOUYLAFRW-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(oxolan-2-yl)ethyl]azepane
CID 65165343
N-[2-(oxolan-2-yl)ethyl]-3-piperidin-2-ylpropan-1-amine
CID 62214311
6-(oxolan-2-yl)-1-piperidin-2-ylhexan-3-one
CID 116563772
2-[2-[2-(oxolan-2-yl)ethoxy]ethyl]piperidine
CID 65163156
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
N-(azocan-2-ylmethyl)-2-(oxolan-2-yl)ethanamine
CID 114240359
N-[3-(oxolan-2-yl)propyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631701
2-[2-(oxolan-2-ylmethoxy)ethyl]piperidine
CID 43149956
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
N-methyl-N-(oxan-2-ylmethyl)-3-piperidin-2-ylpropan-1-amine
CID 55047647
2-(oxolan-2-ylmethylsulfanylmethyl)piperidine
CID 106495458

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxolan-2-yl)propyl]azepane?
The IUPAC name of 2-[3-(oxolan-2-yl)propyl]azepane (CID 65165342) is 2-[3-(oxolan-2-yl)propyl]azepane.
What is the SMILES notation for 2-[3-(oxolan-2-yl)propyl]azepane?
The canonical SMILES for 2-[3-(oxolan-2-yl)propyl]azepane is C1CCNC(CCCC2CCCO2)CC1.
What is the InChIKey of 2-[3-(oxolan-2-yl)propyl]azepane?
The InChIKey is GYMSRCOUYLAFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-6-12(14-10-3-1)7-4-8-13-9-5-11-15-13/h12-14H,1-11H2.
What are the key properties of 2-[3-(oxolan-2-yl)propyl]azepane?
2-[3-(oxolan-2-yl)propyl]azepane has a molecular weight of 211.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxolan-2-yl)propyl]azepane is sourced from PubChem (CID 65165342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).