(Z)-N-(4,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanimine;ethane

C11H22N2 — CID 144599794

IUPAC(Z)-N-(4,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanimine;ethane
SMILESC/C=N\N1CCC(C)=CC1C.CC
InChIInChI=1S/C9H16N2.C2H6/c1-4-10-11-6-5-8(2)7-9(11)3;1-2/h4,7,9H,5-6H2,1-3H3;1-2H3/b10-4-;
InChIKeyMQPBUKQCZRICTI-MDZFRNKHSA-N
MW182.31 g/mol
LogP3.06
Rot. Bonds1

About (Z)-N-(4,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanimine;ethane

(Z)-N-(4,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanimine;ethane (PubChem CID 144599794) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (Z)-N-(4,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanimine;ethane.

Molecular Properties

Compound Name(Z)-N-(4,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanimine;ethane
PubChem CID144599794
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(Z)-N-(4,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanimine;ethane
SMILESC/C=N\N1CCC(C)=CC1C.CC
InChIInChI=1S/C9H16N2.C2H6/c1-4-10-11-6-5-8(2)7-9(11)3;1-2/h4,7,9H,5-6H2,1-3H3;1-2H3/b10-4-;
InChIKeyMQPBUKQCZRICTI-MDZFRNKHSA-N
XLogP3.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanimine;ethane?
The IUPAC name of (Z)-N-(4,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanimine;ethane (CID 144599794) is (Z)-N-(4,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanimine;ethane.
What is the SMILES notation for (Z)-N-(4,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanimine;ethane?
The canonical SMILES for (Z)-N-(4,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanimine;ethane is C/C=N\N1CCC(C)=CC1C.CC.
What is the InChIKey of (Z)-N-(4,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanimine;ethane?
The InChIKey is MQPBUKQCZRICTI-MDZFRNKHSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-4-10-11-6-5-8(2)7-9(11)3;1-2/h4,7,9H,5-6H2,1-3H3;1-2H3/b10-4-;.
What are the key properties of (Z)-N-(4,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanimine;ethane?
(Z)-N-(4,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanimine;ethane has a molecular weight of 182.31 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanimine;ethane is sourced from PubChem (CID 144599794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).