1-(2-ethylidene-1,6-dimethyl-4-pyridinyl)ethanimine

C11H16N2 — CID 91121995

IUPAC1-(2-ethylidene-1,6-dimethyl-4-pyridinyl)ethanimine
SMILES[H]/N=C(\C)C1=CC(=CC)N(C)C(C)=C1
InChIInChI=1S/C11H16N2/c1-5-11-7-10(9(3)12)6-8(2)13(11)4/h5-7,12H,1-4H3/b11-5?,12-9+
InChIKeyFEAPLKHMAUGONT-UJPMAEKGSA-N
MW176.26 g/mol
LogP2.71
Rot. Bonds1

About 1-(2-ethylidene-1,6-dimethyl-4-pyridinyl)ethanimine

1-(2-ethylidene-1,6-dimethyl-4-pyridinyl)ethanimine (PubChem CID 91121995) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-(2-ethylidene-1,6-dimethyl-4-pyridinyl)ethanimine.

Molecular Properties

Compound Name1-(2-ethylidene-1,6-dimethyl-4-pyridinyl)ethanimine
PubChem CID91121995
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-(2-ethylidene-1,6-dimethyl-4-pyridinyl)ethanimine
SMILES[H]/N=C(\C)C1=CC(=CC)N(C)C(C)=C1
InChIInChI=1S/C11H16N2/c1-5-11-7-10(9(3)12)6-8(2)13(11)4/h5-7,12H,1-4H3/b11-5?,12-9+
InChIKeyFEAPLKHMAUGONT-UJPMAEKGSA-N
XLogP2.71
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine
CID 19389506
4-diazo-N,N-diethyl-5-methylcyclohexa-1,5-dien-1-amine
CID 19805268
4-diazo-N,N,6-trimethylcyclohexa-1,5-dien-1-amine
CID 21684310
4-diazo-N,N-diethyl-6-methylcyclohexa-1,5-dien-1-amine
CID 54045951
(3E)-N-(2-iminopropyl)-N,3-dimethyl-5-methylidenehepta-1,3-dien-2-amine
CID 88556027
5,6-diimino-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine
CID 89326013
(2E,4E)-N,N-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-2-amine
CID 89441651
N,N-dimethyl-3-prop-1-enyl-2-azabicyclo[5.4.0]undeca-1,3,5,6,8,10-hexaen-4-amine
CID 91390701
(2Z,4E)-6-imino-N,N-dimethylhepta-2,4-dien-4-amine
CID 117718958
(4E)-N-ethyl-7-imino-4-methyl-N-propylocta-2,4-dien-3-amine
CID 123197646
4-N-[2-(dimethylamino)ethyl]-4-N-methyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene-3,4-diamine
CID 123206770
(4Z)-6-(4-methylpiperazin-1-yl)hepta-4,6-dien-3-imine
CID 123704792

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylidene-1,6-dimethyl-4-pyridinyl)ethanimine?
The IUPAC name of 1-(2-ethylidene-1,6-dimethyl-4-pyridinyl)ethanimine (CID 91121995) is 1-(2-ethylidene-1,6-dimethyl-4-pyridinyl)ethanimine.
What is the SMILES notation for 1-(2-ethylidene-1,6-dimethyl-4-pyridinyl)ethanimine?
The canonical SMILES for 1-(2-ethylidene-1,6-dimethyl-4-pyridinyl)ethanimine is [H]/N=C(\C)C1=CC(=CC)N(C)C(C)=C1.
What is the InChIKey of 1-(2-ethylidene-1,6-dimethyl-4-pyridinyl)ethanimine?
The InChIKey is FEAPLKHMAUGONT-UJPMAEKGSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-11-7-10(9(3)12)6-8(2)13(11)4/h5-7,12H,1-4H3/b11-5?,12-9+.
What are the key properties of 1-(2-ethylidene-1,6-dimethyl-4-pyridinyl)ethanimine?
1-(2-ethylidene-1,6-dimethyl-4-pyridinyl)ethanimine has a molecular weight of 176.26 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylidene-1,6-dimethyl-4-pyridinyl)ethanimine is sourced from PubChem (CID 91121995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).