(4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

C10H19NO — CID 170523770

IUPAC(4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESCC(C)N1CCO[C@@H]2CCC[C@H]21
InChIInChI=1S/C10H19NO/c1-8(2)11-6-7-12-10-5-3-4-9(10)11/h8-10H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyVOTIWYCYYCBVCB-NXEZZACHSA-N
MW169.27 g/mol
LogP1.65
Rot. Bonds1

About (4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

(4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (PubChem CID 170523770) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.

Molecular Properties

Compound Name(4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
PubChem CID170523770
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESCC(C)N1CCO[C@@H]2CCC[C@H]21
InChIInChI=1S/C10H19NO/c1-8(2)11-6-7-12-10-5-3-4-9(10)11/h8-10H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyVOTIWYCYYCBVCB-NXEZZACHSA-N
XLogP1.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propyl]butan-2-amine
CID 62570516
(4aS,8aR)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
CID 166493348
(4aR,8aS)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
CID 166493668
methyl 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methylbutanoate
CID 79407124
(5aR,8aR)-5-propan-2-yl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine
CID 73011385
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-aminopropanoic acid
CID 64694403
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-sulfanylpropan-1-one
CID 107026890
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-(1-morpholin-3-ylpropan-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 113462192
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-ethylpentan-1-amine
CID 83054122
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-4,4-dimethylpentan-1-ol
CID 114357055
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-(2-methylpropyl)butan-1-amine
CID 62446728

Frequently Asked Questions

What is the IUPAC name of (4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The IUPAC name of (4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (CID 170523770) is (4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.
What is the SMILES notation for (4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The canonical SMILES for (4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is CC(C)N1CCO[C@@H]2CCC[C@H]21.
What is the InChIKey of (4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The InChIKey is VOTIWYCYYCBVCB-NXEZZACHSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)11-6-7-12-10-5-3-4-9(10)11/h8-10H,3-7H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
(4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine has a molecular weight of 169.27 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is sourced from PubChem (CID 170523770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).