[3-(2-methylpropylidene)-4,5-dihydro-2H-pyridin-2-yl]methanimine

C10H16N2 — CID 57216431

IUPAC[3-(2-methylpropylidene)-4,5-dihydro-2H-pyridin-2-yl]methanimine
SMILES[H]/N=C/C1N=CCCC1=CC(C)C
InChIInChI=1S/C10H16N2/c1-8(2)6-9-4-3-5-12-10(9)7-11/h5-8,10-11H,3-4H2,1-2H3/b9-6?,11-7+
InChIKeyHHQAEFMYAJPFEG-QKSZKOKMSA-N
MW164.25 g/mol
LogP2.45
Rot. Bonds2

About [3-(2-methylpropylidene)-4,5-dihydro-2H-pyridin-2-yl]methanimine

[3-(2-methylpropylidene)-4,5-dihydro-2H-pyridin-2-yl]methanimine (PubChem CID 57216431) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is [3-(2-methylpropylidene)-4,5-dihydro-2H-pyridin-2-yl]methanimine.

Molecular Properties

Compound Name[3-(2-methylpropylidene)-4,5-dihydro-2H-pyridin-2-yl]methanimine
PubChem CID57216431
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name[3-(2-methylpropylidene)-4,5-dihydro-2H-pyridin-2-yl]methanimine
SMILES[H]/N=C/C1N=CCCC1=CC(C)C
InChIInChI=1S/C10H16N2/c1-8(2)6-9-4-3-5-12-10(9)7-11/h5-8,10-11H,3-4H2,1-2H3/b9-6?,11-7+
InChIKeyHHQAEFMYAJPFEG-QKSZKOKMSA-N
XLogP2.45
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
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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Related Compounds

3,5-Diethyl-2-propyl-2,5-dihydropyridine
CID 57118688
2,3-Diethyl-2,5-dihydropyridine
CID 57226784
3,4,6,8a-Tetrahydro-1,7-naphthyridine
CID 90705893
N-butan-2-yl-1-(2,3-dihydropyridin-4-yl)-3-methylbut-2-en-1-imine
CID 90841481
7-N-ethylidene-9,10-dimethyldodeca-1,9-diene-5,7-diimine
CID 123758535
(Z)-2-(2,3-dihydropyridin-2-ylmethyl)-N-methylbut-2-en-1-imine
CID 124182763
(3-Propyl-2,3-dihydropyridin-4-yl)methanamine
CID 146670699
N-cyclohex-2-en-1-yl-3-methylbut-2-en-1-imine
CID 163810953
(2R,3S)-2-methyl-3-[(2R)-2-methyl-2H-pyrrol-3-yl]-2,3,4,5-tetrahydropyridine
CID 173867568
2,3-Di(propan-2-yl)-2,5-dihydropyridine
CID 177116449
(Z)-3-(ethyliminomethyl)hept-2-en-4-amine
CID 142531750

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropylidene)-4,5-dihydro-2H-pyridin-2-yl]methanimine?
The IUPAC name of [3-(2-methylpropylidene)-4,5-dihydro-2H-pyridin-2-yl]methanimine (CID 57216431) is [3-(2-methylpropylidene)-4,5-dihydro-2H-pyridin-2-yl]methanimine.
What is the SMILES notation for [3-(2-methylpropylidene)-4,5-dihydro-2H-pyridin-2-yl]methanimine?
The canonical SMILES for [3-(2-methylpropylidene)-4,5-dihydro-2H-pyridin-2-yl]methanimine is [H]/N=C/C1N=CCCC1=CC(C)C.
What is the InChIKey of [3-(2-methylpropylidene)-4,5-dihydro-2H-pyridin-2-yl]methanimine?
The InChIKey is HHQAEFMYAJPFEG-QKSZKOKMSA-N. The full InChI is InChI=1S/C10H16N2/c1-8(2)6-9-4-3-5-12-10(9)7-11/h5-8,10-11H,3-4H2,1-2H3/b9-6?,11-7+.
What are the key properties of [3-(2-methylpropylidene)-4,5-dihydro-2H-pyridin-2-yl]methanimine?
[3-(2-methylpropylidene)-4,5-dihydro-2H-pyridin-2-yl]methanimine has a molecular weight of 164.25 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropylidene)-4,5-dihydro-2H-pyridin-2-yl]methanimine is sourced from PubChem (CID 57216431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).