5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile

C17H29N3O — CID 106803254

IUPAC5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile
SMILESCCC(C#N)(CCCN1CCOC2CCCC21)NC1CC1
InChIInChI=1S/C17H29N3O/c1-2-17(13-18,19-14-7-8-14)9-4-10-20-11-12-21-16-6-3-5-15(16)20/h14-16,19H,2-12H2,1H3
InChIKeyJIWCANABDVFBFC-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.44
Rot. Bonds7

About 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile

5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile (PubChem CID 106803254) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile.

Molecular Properties

Compound Name5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile
PubChem CID106803254
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile
SMILESCCC(C#N)(CCCN1CCOC2CCCC21)NC1CC1
InChIInChI=1S/C17H29N3O/c1-2-17(13-18,19-14-7-8-14)9-4-10-20-11-12-21-16-6-3-5-15(16)20/h14-16,19H,2-12H2,1H3
InChIKeyJIWCANABDVFBFC-UHFFFAOYSA-N
XLogP2.44
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(ethylamino)butanenitrile
CID 55142938
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(ethylamino)-2-methylbutanenitrile
CID 61896050
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(propylamino)butanenitrile
CID 61896051
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(propan-2-ylamino)butanenitrile
CID 61896052
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(cyclopropylamino)-2-methylbutanenitrile
CID 61896256
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)propanenitrile
CID 61896383
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(ethylamino)-2-methylpropanenitrile
CID 61896384
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(propylamino)propanenitrile
CID 61896385
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 61896594
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(cyclopropylamino)-2-methylpropanenitrile
CID 61896595
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-amino-2-methylbutanenitrile
CID 61899182
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)butanenitrile
CID 61899183

Frequently Asked Questions

What is the IUPAC name of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile?
The IUPAC name of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile (CID 106803254) is 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile.
What is the SMILES notation for 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile?
The canonical SMILES for 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile is CCC(C#N)(CCCN1CCOC2CCCC21)NC1CC1.
What is the InChIKey of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile?
The InChIKey is JIWCANABDVFBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-2-17(13-18,19-14-7-8-14)9-4-10-20-11-12-21-16-6-3-5-15(16)20/h14-16,19H,2-12H2,1H3.
What are the key properties of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile?
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile has a molecular weight of 291.44 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile is sourced from PubChem (CID 106803254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).