2-[(1,5-dimethyl-2,4-dihydropyridin-3-ylidene)amino]-N,N-dimethylethanamine

C11H21N3 — CID 56621105

IUPAC2-[(1,5-dimethyl-2,4-dihydropyridin-3-ylidene)amino]-N,N-dimethylethanamine
SMILESCC1=CN(C)C/C(=N/CCN(C)C)C1
InChIInChI=1S/C11H21N3/c1-10-7-11(9-14(4)8-10)12-5-6-13(2)3/h8H,5-7,9H2,1-4H3/b12-11+
InChIKeyZRMCCWAQKQHLLA-VAWYXSNFSA-N
MW195.31 g/mol
LogP1.23
Rot. Bonds3

About 2-[(1,5-dimethyl-2,4-dihydropyridin-3-ylidene)amino]-N,N-dimethylethanamine

2-[(1,5-dimethyl-2,4-dihydropyridin-3-ylidene)amino]-N,N-dimethylethanamine (PubChem CID 56621105) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[(1,5-dimethyl-2,4-dihydropyridin-3-ylidene)amino]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(1,5-dimethyl-2,4-dihydropyridin-3-ylidene)amino]-N,N-dimethylethanamine
PubChem CID56621105
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-[(1,5-dimethyl-2,4-dihydropyridin-3-ylidene)amino]-N,N-dimethylethanamine
SMILESCC1=CN(C)C/C(=N/CCN(C)C)C1
InChIInChI=1S/C11H21N3/c1-10-7-11(9-14(4)8-10)12-5-6-13(2)3/h8H,5-7,9H2,1-4H3/b12-11+
InChIKeyZRMCCWAQKQHLLA-VAWYXSNFSA-N
XLogP1.23
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Dimethylaminomethylene)cyclohexanone butylimine
CID 129778991
N-ethyl-1,5-dimethyl-2,4-dihydropyridin-3-imine
CID 56613844
1,5-dimethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
CID 56614183
5-Methyl-1-(2-methylpropyl)-2,4-dihydropyridin-3-imine
CID 56616930
1,5-diethyl-N-methyl-2,4-dihydropyridin-3-imine
CID 56617025
1,5-Dimethyl-2,4-dihydropyridin-3-imine
CID 56618651
1,5-dimethyl-N-prop-2-enyl-2,4-dihydropyridin-3-imine
CID 56627199
1,5-Diethyl-2,4-dihydropyridin-3-imine
CID 56635574
1,5-dimethyl-N-(2-methylpropyl)-2,4-dihydropyridin-3-imine
CID 56636914
N,1,5-trimethyl-2,4-dihydropyridin-3-imine
CID 56637640
1,5-diethyl-2-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
CID 57014228
5-Ethyl-1-methyl-2,4-dihydropyridin-3-imine
CID 57044964

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethyl-2,4-dihydropyridin-3-ylidene)amino]-N,N-dimethylethanamine?
The IUPAC name of 2-[(1,5-dimethyl-2,4-dihydropyridin-3-ylidene)amino]-N,N-dimethylethanamine (CID 56621105) is 2-[(1,5-dimethyl-2,4-dihydropyridin-3-ylidene)amino]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(1,5-dimethyl-2,4-dihydropyridin-3-ylidene)amino]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(1,5-dimethyl-2,4-dihydropyridin-3-ylidene)amino]-N,N-dimethylethanamine is CC1=CN(C)C/C(=N/CCN(C)C)C1.
What is the InChIKey of 2-[(1,5-dimethyl-2,4-dihydropyridin-3-ylidene)amino]-N,N-dimethylethanamine?
The InChIKey is ZRMCCWAQKQHLLA-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H21N3/c1-10-7-11(9-14(4)8-10)12-5-6-13(2)3/h8H,5-7,9H2,1-4H3/b12-11+.
What are the key properties of 2-[(1,5-dimethyl-2,4-dihydropyridin-3-ylidene)amino]-N,N-dimethylethanamine?
2-[(1,5-dimethyl-2,4-dihydropyridin-3-ylidene)amino]-N,N-dimethylethanamine has a molecular weight of 195.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethyl-2,4-dihydropyridin-3-ylidene)amino]-N,N-dimethylethanamine is sourced from PubChem (CID 56621105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).