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

C15H30N2O2 — CID 64826400

IUPAC3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(C)(CO)CN1CCOC2CCCCC21
InChIInChI=1S/C15H30N2O2/c1-12(2)16-15(3,11-18)10-17-8-9-19-14-7-5-4-6-13(14)17/h12-14,16,18H,4-11H2,1-3H3
InChIKeyZTINJZRIQORTEY-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.38
Rot. Bonds5

About 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

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 (PubChem CID 64826400) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID64826400
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(C)(CO)CN1CCOC2CCCCC21
InChIInChI=1S/C15H30N2O2/c1-12(2)16-15(3,11-18)10-17-8-9-19-14-7-5-4-6-13(14)17/h12-14,16,18H,4-11H2,1-3H3
InChIKeyZTINJZRIQORTEY-UHFFFAOYSA-N
XLogP1.38
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
CID 64826996
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3,3-dimethylbutan-2-ol
CID 66452835
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64827723
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64825208
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)-N-tert-butyl-2-methylpropan-1-amine
CID 62447852
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,2-dimethylpropan-1-amine
CID 62259048
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propan-2-ylpentan-1-amine
CID 62448418
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64788594
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4,4-dimethylpentan-3-amine
CID 62623730
3-(4-cyclopentylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64788217
2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(propan-2-ylamino)propan-1-ol
CID 79925008

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)-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)NC(C)(CO)CN1CCOC2CCCCC21.
What is the InChIKey of 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?
The InChIKey is ZTINJZRIQORTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)16-15(3,11-18)10-17-8-9-19-14-7-5-4-6-13(14)17/h12-14,16,18H,4-11H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 270.42 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 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)-2-methyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64826400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).