N-but-2-ynoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine

C12H18N2O — CID 10398077

IUPACN-but-2-ynoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
SMILESCC#CCON=C1CC2CCC(C1)N2C
InChIInChI=1S/C12H18N2O/c1-3-4-7-15-13-10-8-11-5-6-12(9-10)14(11)2/h11-12H,5-9H2,1-2H3
InChIKeyNZHRINUKCMUQBI-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.64
Rot. Bonds2

About N-but-2-ynoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine

N-but-2-ynoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine (PubChem CID 10398077) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-but-2-ynoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine.

Molecular Properties

Compound NameN-but-2-ynoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
PubChem CID10398077
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-but-2-ynoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
SMILESCC#CCON=C1CC2CCC(C1)N2C
InChIInChI=1S/C12H18N2O/c1-3-4-7-15-13-10-8-11-5-6-12(9-10)14(11)2/h11-12H,5-9H2,1-2H3
InChIKeyNZHRINUKCMUQBI-UHFFFAOYSA-N
XLogP1.64
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-but-2-ynoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine with MolForge

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Related Compounds

8-methyl-N-pent-4-yn-2-yloxy-8-azabicyclo[3.2.1]octan-3-imine
CID 10059327
8-methyl-N-pent-1-yn-3-yloxy-8-azabicyclo[3.2.1]octan-3-imine
CID 10466060
8-methyl-N-prop-2-ynoxy-8-azabicyclo[3.2.1]octan-3-imine
CID 44339043
8-methyl-N-pent-4-ynoxy-8-azabicyclo[3.2.1]octan-3-imine
CID 44339164
8-methyl-N-pent-3-ynoxy-8-azabicyclo[3.2.1]octan-3-imine
CID 44339174
N-but-3-ynoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
CID 44339217
8-methyl-N-pent-2-ynoxy-8-azabicyclo[3.2.1]octan-3-imine
CID 44339221
N-but-3-yn-2-yloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
CID 44339331
N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
CID 23179603
8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-imine
CID 176944360
3-[4-(8-Azabicyclo[3.2.1]octan-8-yl)but-2-ynyl]-4,5-dihydro-1,2-oxazole
CID 44437310
N-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)hydroxylamine
CID 421558

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
The IUPAC name of N-but-2-ynoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine (CID 10398077) is N-but-2-ynoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine.
What is the SMILES notation for N-but-2-ynoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
The canonical SMILES for N-but-2-ynoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine is CC#CCON=C1CC2CCC(C1)N2C.
What is the InChIKey of N-but-2-ynoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
The InChIKey is NZHRINUKCMUQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-4-7-15-13-10-8-11-5-6-12(9-10)14(11)2/h11-12H,5-9H2,1-2H3.
What are the key properties of N-but-2-ynoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
N-but-2-ynoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine has a molecular weight of 206.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine is sourced from PubChem (CID 10398077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).