5-tert-butyl-2-(cyclopentylmethyl)-1,4-oxazepane

C15H29NO — CID 114177441

IUPAC5-tert-butyl-2-(cyclopentylmethyl)-1,4-oxazepane
SMILESCC(C)(C)C1CCOC(CC2CCCC2)CN1
InChIInChI=1S/C15H29NO/c1-15(2,3)14-8-9-17-13(11-16-14)10-12-6-4-5-7-12/h12-14,16H,4-11H2,1-3H3
InChIKeyDEFVJNZDJYKCAL-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds2

About 5-tert-butyl-2-(cyclopentylmethyl)-1,4-oxazepane

5-tert-butyl-2-(cyclopentylmethyl)-1,4-oxazepane (PubChem CID 114177441) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 5-tert-butyl-2-(cyclopentylmethyl)-1,4-oxazepane.

Molecular Properties

Compound Name5-tert-butyl-2-(cyclopentylmethyl)-1,4-oxazepane
PubChem CID114177441
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name5-tert-butyl-2-(cyclopentylmethyl)-1,4-oxazepane
SMILESCC(C)(C)C1CCOC(CC2CCCC2)CN1
InChIInChI=1S/C15H29NO/c1-15(2,3)14-8-9-17-13(11-16-14)10-12-6-4-5-7-12/h12-14,16H,4-11H2,1-3H3
InChIKeyDEFVJNZDJYKCAL-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-Oxa-10-azaspiro[4.6]undecane
CID 75481408
2-Cyclopentyl-1,4-oxazepane
CID 82598086
2-Cyclohexyl-1,4-oxazepane
CID 82601829
2-(Cyclohexylmethyl)-1,4-oxazepane
CID 91091417
2-(Cyclopentylmethyl)-1,4-oxazepane
CID 103159111
9-Oxa-6-azaspiro[4.6]undecane
CID 118209897
3-(2-Methylpropyl)-6-oxa-2-azabicyclo[3.2.1]octane
CID 129066820
7-(Cyclopentylmethyl)-1,4-oxazepane
CID 144023788
6-ethyl-6-methyl-3,4,4a,5,7,8,9,9a-octahydro-2H-pyrano[2,3-c]azepine
CID 144812676
5,6,7-Tri(propan-2-yl)-1,4-oxazepane
CID 164721168
N-[[7-(propan-2-yloxymethyl)azepan-4-yl]methyl]butan-1-amine
CID 176568468
7-Ethyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b][1,4]oxazepine
CID 43498441

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(cyclopentylmethyl)-1,4-oxazepane?
The IUPAC name of 5-tert-butyl-2-(cyclopentylmethyl)-1,4-oxazepane (CID 114177441) is 5-tert-butyl-2-(cyclopentylmethyl)-1,4-oxazepane.
What is the SMILES notation for 5-tert-butyl-2-(cyclopentylmethyl)-1,4-oxazepane?
The canonical SMILES for 5-tert-butyl-2-(cyclopentylmethyl)-1,4-oxazepane is CC(C)(C)C1CCOC(CC2CCCC2)CN1.
What is the InChIKey of 5-tert-butyl-2-(cyclopentylmethyl)-1,4-oxazepane?
The InChIKey is DEFVJNZDJYKCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-15(2,3)14-8-9-17-13(11-16-14)10-12-6-4-5-7-12/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 5-tert-butyl-2-(cyclopentylmethyl)-1,4-oxazepane?
5-tert-butyl-2-(cyclopentylmethyl)-1,4-oxazepane has a molecular weight of 239.40 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(cyclopentylmethyl)-1,4-oxazepane is sourced from PubChem (CID 114177441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).