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

C10H18N2O — CID 63176498

IUPAC1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propan-1-imine
SMILES[H]/N=C(\CC)N1CCOC2CCCC21
InChIInChI=1S/C10H18N2O/c1-2-10(11)12-6-7-13-9-5-3-4-8(9)12/h8-9,11H,2-7H2,1H3/b11-10+
InChIKeyBPQOUJHCQUIEAU-ZHACJKMWSA-N
MW182.27 g/mol
LogP1.63
Rot. Bonds1

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

1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propan-1-imine (PubChem CID 63176498) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propan-1-imine.

Molecular Properties

Compound Name1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propan-1-imine
PubChem CID63176498
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propan-1-imine
SMILES[H]/N=C(\CC)N1CCOC2CCCC21
InChIInChI=1S/C10H18N2O/c1-2-10(11)12-6-7-13-9-5-3-4-8(9)12/h8-9,11H,2-7H2,1H3/b11-10+
InChIKeyBPQOUJHCQUIEAU-ZHACJKMWSA-N
XLogP1.63
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propan-1-imine?
The IUPAC name of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propan-1-imine (CID 63176498) is 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propan-1-imine.
What is the SMILES notation for 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propan-1-imine?
The canonical SMILES for 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propan-1-imine is [H]/N=C(\CC)N1CCOC2CCCC21.
What is the InChIKey of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propan-1-imine?
The InChIKey is BPQOUJHCQUIEAU-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-10(11)12-6-7-13-9-5-3-4-8(9)12/h8-9,11H,2-7H2,1H3/b11-10+.
What are the key properties of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propan-1-imine?
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propan-1-imine has a molecular weight of 182.27 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propan-1-imine is sourced from PubChem (CID 63176498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).