(E)-N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-2-imine;hydrochloride

C9H17ClN2O — CID 18995734

IUPAC(E)-N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-2-imine;hydrochloride
SMILESCO/N=C1\CCC2CCC1N2C.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-11-7-3-5-8(10-12-2)9(11)6-4-7;/h7,9H,3-6H2,1-2H3;1H/b10-8+;
InChIKeyBWGLTNAZNXSOBO-VRTOBVRTSA-N
MW204.70 g/mol
LogP1.67
Rot. Bonds1

About (E)-N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-2-imine;hydrochloride

(E)-N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-2-imine;hydrochloride (PubChem CID 18995734) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is (E)-N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-2-imine;hydrochloride.

Molecular Properties

Compound Name(E)-N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-2-imine;hydrochloride
PubChem CID18995734
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name(E)-N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-2-imine;hydrochloride
SMILESCO/N=C1\CCC2CCC1N2C.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-11-7-3-5-8(10-12-2)9(11)6-4-7;/h7,9H,3-6H2,1-2H3;1H/b10-8+;
InChIKeyBWGLTNAZNXSOBO-VRTOBVRTSA-N
XLogP1.67
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-Azabicyclo[3.2.1]octan-3-one, 8-methyl-, oxime
CID 2728075
N-but-2-ynoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
CID 10398077
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-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
CID 23179603
Tropanonoxim
CID 129639128
8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-imine
CID 176944360
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine
CID 11873076
3-Butyliminotropane
CID 129782253

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-2-imine;hydrochloride?
The IUPAC name of (E)-N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-2-imine;hydrochloride (CID 18995734) is (E)-N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-2-imine;hydrochloride.
What is the SMILES notation for (E)-N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-2-imine;hydrochloride?
The canonical SMILES for (E)-N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-2-imine;hydrochloride is CO/N=C1\CCC2CCC1N2C.Cl.
What is the InChIKey of (E)-N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-2-imine;hydrochloride?
The InChIKey is BWGLTNAZNXSOBO-VRTOBVRTSA-N. The full InChI is InChI=1S/C9H16N2O.ClH/c1-11-7-3-5-8(10-12-2)9(11)6-4-7;/h7,9H,3-6H2,1-2H3;1H/b10-8+;.
What are the key properties of (E)-N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-2-imine;hydrochloride?
(E)-N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-2-imine;hydrochloride has a molecular weight of 204.70 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-2-imine;hydrochloride is sourced from PubChem (CID 18995734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).