1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine

C10H18N2 — CID 57244631

IUPAC1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
SMILESCCN1C=CC/C(=N\C(C)C)C1
InChIInChI=1S/C10H18N2/c1-4-12-7-5-6-10(8-12)11-9(2)3/h5,7,9H,4,6,8H2,1-3H3/b11-10+
InChIKeyGAIFRLDUQTXICO-ZHACJKMWSA-N
MW166.27 g/mol
LogP2.08
Rot. Bonds2

About 1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine

1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine (PubChem CID 57244631) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine.

Molecular Properties

Compound Name1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
PubChem CID57244631
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
SMILESCCN1C=CC/C(=N\C(C)C)C1
InChIInChI=1S/C10H18N2/c1-4-12-7-5-6-10(8-12)11-9(2)3/h5,7,9H,4,6,8H2,1-3H3/b11-10+
InChIKeyGAIFRLDUQTXICO-ZHACJKMWSA-N
XLogP2.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-Trimethyl-6-propylpyrazine
CID 123522565
N,1-dimethyl-2,3-dihydropyridin-4-imine
CID 56625157
1-ethyl-5-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
CID 57168100
1-Ethyl-2,4-dihydropyridin-3-imine
CID 57189564
1-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
CID 57239418
2,3,5-trimethyl-1-prop-1-enyl-2H-pyrazine
CID 86055709
N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine
CID 123324348
N-methyl-N-(2-methyliminobutyl)octa-1,7-dien-2-amine
CID 123494328
6-ethyl-2,3-dimethyl-1-prop-1-en-2-yl-2H-pyrazine
CID 139314202
2-propan-2-yl-N,N-dipropyl-3,4-dihydropyridin-3-amine
CID 139538966
N-butyl-N-methyl-3-[(Z)-prop-1-enyl]iminobutan-1-amine
CID 142257797
N-methyl-N-propyl-3,4-dihydropyridin-4-amine
CID 143108219

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine?
The IUPAC name of 1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine (CID 57244631) is 1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine.
What is the SMILES notation for 1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine?
The canonical SMILES for 1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine is CCN1C=CC/C(=N\C(C)C)C1.
What is the InChIKey of 1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine?
The InChIKey is GAIFRLDUQTXICO-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-12-7-5-6-10(8-12)11-9(2)3/h5,7,9H,4,6,8H2,1-3H3/b11-10+.
What are the key properties of 1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine?
1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine has a molecular weight of 166.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine is sourced from PubChem (CID 57244631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).