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

C16H32N2O2 — CID 64827723

IUPAC4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CC(C)N1CCOC2CCCC21
InChIInChI=1S/C16H32N2O2/c1-12(2)17-16(4,11-19)10-13(3)18-8-9-20-15-7-5-6-14(15)18/h12-15,17,19H,5-11H2,1-4H3
InChIKeyVQBJTLSDPHWJRM-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.77
Rot. Bonds6

About 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

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 (PubChem CID 64827723) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64827723
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CC(C)N1CCOC2CCCC21
InChIInChI=1S/C16H32N2O2/c1-12(2)17-16(4,11-19)10-13(3)18-8-9-20-15-7-5-6-14(15)18/h12-15,17,19H,5-11H2,1-4H3
InChIKeyVQBJTLSDPHWJRM-UHFFFAOYSA-N
XLogP1.77
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)NC(C)(CO)CC(C)N1CCOC2CCCC21.
What is the InChIKey of 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?
The InChIKey is VQBJTLSDPHWJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)17-16(4,11-19)10-13(3)18-8-9-20-15-7-5-6-14(15)18/h12-15,17,19H,5-11H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 284.44 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 64827723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).