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

C16H30N2O — CID 64752735

IUPAC2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1N1CCOC2CCCC21
InChIInChI=1S/C16H30N2O/c1-11-9-12(2)16(13(10-11)17-3)18-7-8-19-15-6-4-5-14(15)18/h11-17H,4-10H2,1-3H3
InChIKeyZHQMPHIXTFCLPR-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.26
Rot. Bonds2

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

2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 64752735) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N,3,5-trimethylcyclohexan-1-amine
PubChem CID64752735
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1N1CCOC2CCCC21
InChIInChI=1S/C16H30N2O/c1-11-9-12(2)16(13(10-11)17-3)18-7-8-19-15-6-4-5-14(15)18/h11-17H,4-10H2,1-3H3
InChIKeyZHQMPHIXTFCLPR-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N,3,5-trimethylcyclohexan-1-amine (CID 64752735) is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N,3,5-trimethylcyclohexan-1-amine is CNC1CC(C)CC(C)C1N1CCOC2CCCC21.
What is the InChIKey of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is ZHQMPHIXTFCLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-11-9-12(2)16(13(10-11)17-3)18-7-8-19-15-6-4-5-14(15)18/h11-17H,4-10H2,1-3H3.
What are the key properties of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N,3,5-trimethylcyclohexan-1-amine?
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N,3,5-trimethylcyclohexan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64752735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).