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

C15H29NO — CID 79117021

IUPAC2-[2-(oxolan-2-yl)ethyl]-2-propylazepane
SMILESCCCC1(CCC2CCCO2)CCCCCN1
InChIInChI=1S/C15H29NO/c1-2-9-15(10-4-3-5-12-16-15)11-8-14-7-6-13-17-14/h14,16H,2-13H2,1H3
InChIKeyVBAINMCFKWATHV-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.65
Rot. Bonds5

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

2-[2-(oxolan-2-yl)ethyl]-2-propylazepane (PubChem CID 79117021) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-[2-(oxolan-2-yl)ethyl]-2-propylazepane.

Molecular Properties

Compound Name2-[2-(oxolan-2-yl)ethyl]-2-propylazepane
PubChem CID79117021
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-[2-(oxolan-2-yl)ethyl]-2-propylazepane
SMILESCCCC1(CCC2CCCO2)CCCCCN1
InChIInChI=1S/C15H29NO/c1-2-9-15(10-4-3-5-12-16-15)11-8-14-7-6-13-17-14/h14,16H,2-13H2,1H3
InChIKeyVBAINMCFKWATHV-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dipropylpyrrolidine
CID 13332418
2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine
CID 117271043
1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
CID 65162275
N-[[1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 65166242
N-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 83074640
1-[2-(oxolan-2-yl)ethyl]cyclopentan-1-ol
CID 65162273
2-(oxolan-2-yl)-N-[(4-propylpiperidin-4-yl)methyl]ethanamine
CID 63129724
2-tetradecyloxolane
CID 10683364
2-(cyclopropylmethyl)-2-propylpyrrolidine
CID 66465576
2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]oxolane
CID 106798501
3-fluoro-3-[2-(oxolan-2-yl)ethyl]piperidine
CID 112563004
2-methyl-N-[[1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 65166397

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-2-yl)ethyl]-2-propylazepane?
The IUPAC name of 2-[2-(oxolan-2-yl)ethyl]-2-propylazepane (CID 79117021) is 2-[2-(oxolan-2-yl)ethyl]-2-propylazepane.
What is the SMILES notation for 2-[2-(oxolan-2-yl)ethyl]-2-propylazepane?
The canonical SMILES for 2-[2-(oxolan-2-yl)ethyl]-2-propylazepane is CCCC1(CCC2CCCO2)CCCCCN1.
What is the InChIKey of 2-[2-(oxolan-2-yl)ethyl]-2-propylazepane?
The InChIKey is VBAINMCFKWATHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-9-15(10-4-3-5-12-16-15)11-8-14-7-6-13-17-14/h14,16H,2-13H2,1H3.
What are the key properties of 2-[2-(oxolan-2-yl)ethyl]-2-propylazepane?
2-[2-(oxolan-2-yl)ethyl]-2-propylazepane has a molecular weight of 239.40 g/mol, XLogP of 3.65, 5 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]-2-propylazepane is sourced from PubChem (CID 79117021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).