(Z)-N-hexa-2,5-diynoxy-1-azabicyclo[3.2.1]octan-6-imine

C13H16N2O — CID 15227846

IUPAC(Z)-N-hexa-2,5-diynoxy-1-azabicyclo[3.2.1]octan-6-imine
SMILESC#CCC#CCO/N=C1\CN2CCCC1C2
InChIInChI=1S/C13H16N2O/c1-2-3-4-5-9-16-14-13-11-15-8-6-7-12(13)10-15/h1,12H,3,6-11H2/b14-13+
InChIKeyULKOFEQMOCBCJD-BUHFOSPRSA-N
MW216.28 g/mol
LogP1.11
Rot. Bonds2

About (Z)-N-hexa-2,5-diynoxy-1-azabicyclo[3.2.1]octan-6-imine

(Z)-N-hexa-2,5-diynoxy-1-azabicyclo[3.2.1]octan-6-imine (PubChem CID 15227846) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (Z)-N-hexa-2,5-diynoxy-1-azabicyclo[3.2.1]octan-6-imine.

Molecular Properties

Compound Name(Z)-N-hexa-2,5-diynoxy-1-azabicyclo[3.2.1]octan-6-imine
PubChem CID15227846
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(Z)-N-hexa-2,5-diynoxy-1-azabicyclo[3.2.1]octan-6-imine
SMILESC#CCC#CCO/N=C1\CN2CCCC1C2
InChIInChI=1S/C13H16N2O/c1-2-3-4-5-9-16-14-13-11-15-8-6-7-12(13)10-15/h1,12H,3,6-11H2/b14-13+
InChIKeyULKOFEQMOCBCJD-BUHFOSPRSA-N
XLogP1.11
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.11
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 (Z)-N-hexa-2,5-diynoxy-1-azabicyclo[3.2.1]octan-6-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[3-(2-chlorophenyl)prop-2-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine
CID 10849972
(E)-N-[3-(4-fluorophenyl)prop-2-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine
CID 10706348
(Z)-N-[(E)-pent-2-en-4-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine
CID 10058347
(Z)-N-[3-(3-fluorophenyl)prop-2-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine
CID 10563152
(E)-N-[(4-fluorophenyl)methoxy]-1-azabicyclo[2.2.2]octan-3-imine
CID 134098394
5-[[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]oxymethyl]-1,2-oxazole-3-carbonitrile
CID 101144807
(Z,4R,5S)-4-(4-chlorophenyl)-N-(3-phenylpropoxy)-1-azabicyclo[3.2.1]octan-6-imine
CID 10361712
tert-butyl 3-(5-amino-1-ethyl-3-methoxycarbonylpyrazol-4-yl)piperidine-1-carboxylate
CID 165475381
(4aR,8aR)-1-prop-2-ynyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727779
prop-2-ynyl 2-aminopyrrolidine-1-carboxylate
CID 175511332
1-[(3-prop-2-ynoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122079740
(3R)-1-[2-[(2-phenylcyclohexylidene)amino]oxyethyl]piperidine-3-carboxylic acid
CID 54120675

Frequently Asked Questions

What is the IUPAC name of (Z)-N-hexa-2,5-diynoxy-1-azabicyclo[3.2.1]octan-6-imine?
The IUPAC name of (Z)-N-hexa-2,5-diynoxy-1-azabicyclo[3.2.1]octan-6-imine (CID 15227846) is (Z)-N-hexa-2,5-diynoxy-1-azabicyclo[3.2.1]octan-6-imine.
What is the SMILES notation for (Z)-N-hexa-2,5-diynoxy-1-azabicyclo[3.2.1]octan-6-imine?
The canonical SMILES for (Z)-N-hexa-2,5-diynoxy-1-azabicyclo[3.2.1]octan-6-imine is C#CCC#CCO/N=C1\CN2CCCC1C2.
What is the InChIKey of (Z)-N-hexa-2,5-diynoxy-1-azabicyclo[3.2.1]octan-6-imine?
The InChIKey is ULKOFEQMOCBCJD-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-3-4-5-9-16-14-13-11-15-8-6-7-12(13)10-15/h1,12H,3,6-11H2/b14-13+.
What are the key properties of (Z)-N-hexa-2,5-diynoxy-1-azabicyclo[3.2.1]octan-6-imine?
(Z)-N-hexa-2,5-diynoxy-1-azabicyclo[3.2.1]octan-6-imine has a molecular weight of 216.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-hexa-2,5-diynoxy-1-azabicyclo[3.2.1]octan-6-imine is sourced from PubChem (CID 15227846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).