3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-tert-butyl-2-methylpropan-1-amine

C16H32N2O — CID 62447852

IUPAC3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-tert-butyl-2-methylpropan-1-amine
SMILESCC(CNC(C)(C)C)CN1CCOC2CCCCC21
InChIInChI=1S/C16H32N2O/c1-13(11-17-16(2,3)4)12-18-9-10-19-15-8-6-5-7-14(15)18/h13-15,17H,5-12H2,1-4H3
InChIKeyVPRZKBZTTUDBTA-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.65
Rot. Bonds4

About 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-tert-butyl-2-methylpropan-1-amine

3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-tert-butyl-2-methylpropan-1-amine (PubChem CID 62447852) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-tert-butyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-tert-butyl-2-methylpropan-1-amine
PubChem CID62447852
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-tert-butyl-2-methylpropan-1-amine
SMILESCC(CNC(C)(C)C)CN1CCOC2CCCCC21
InChIInChI=1S/C16H32N2O/c1-13(11-17-16(2,3)4)12-18-9-10-19-15-8-6-5-7-14(15)18/h13-15,17H,5-12H2,1-4H3
InChIKeyVPRZKBZTTUDBTA-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-tert-butyl-2-methylpropan-1-amine with MolForge

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Related Compounds

4-[2-(azetidin-3-yl)propyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 116679809
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3,3-dimethylbutan-2-ol
CID 66452835
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-3-methylbutan-1-amine
CID 65232654
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methylpropanehydrazide
CID 63585088
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylpropan-1-amine
CID 62259530
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64826400
(4aR,7aS)-4-(2,2-difluoroethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 131038084
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,2-dimethylpropan-1-amine
CID 62259048
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4,4-dimethylpentan-3-amine
CID 62623730
methyl 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-bromopropanoate
CID 81100260
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propan-2-ylpentan-1-amine
CID 62448418
1-(2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepin-5-yl)propan-2-amine
CID 131201727

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-tert-butyl-2-methylpropan-1-amine?
The IUPAC name of 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-tert-butyl-2-methylpropan-1-amine (CID 62447852) is 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-tert-butyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-tert-butyl-2-methylpropan-1-amine?
The canonical SMILES for 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-tert-butyl-2-methylpropan-1-amine is CC(CNC(C)(C)C)CN1CCOC2CCCCC21.
What is the InChIKey of 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-tert-butyl-2-methylpropan-1-amine?
The InChIKey is VPRZKBZTTUDBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(11-17-16(2,3)4)12-18-9-10-19-15-8-6-5-7-14(15)18/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-tert-butyl-2-methylpropan-1-amine?
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-tert-butyl-2-methylpropan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-tert-butyl-2-methylpropan-1-amine is sourced from PubChem (CID 62447852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).