[1-ethyl-6-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]methanimine

C13H22N2 — CID 170582300

IUPAC[1-ethyl-6-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]methanimine
SMILES[H]/N=C/C1=C(/C=C\C(C)C)N(CC)CCC1
InChIInChI=1S/C13H22N2/c1-4-15-9-5-6-12(10-14)13(15)8-7-11(2)3/h7-8,10-11,14H,4-6,9H2,1-3H3/b8-7-,14-10+
InChIKeyFKCNLXXICCFTFM-HCDFZPOGSA-N
MW206.33 g/mol
LogP3.22
Rot. Bonds4

About [1-ethyl-6-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]methanimine

[1-ethyl-6-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]methanimine (PubChem CID 170582300) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is [1-ethyl-6-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]methanimine.

Molecular Properties

Compound Name[1-ethyl-6-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]methanimine
PubChem CID170582300
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name[1-ethyl-6-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]methanimine
SMILES[H]/N=C/C1=C(/C=C\C(C)C)N(CC)CCC1
InChIInChI=1S/C13H22N2/c1-4-15-9-5-6-12(10-14)13(15)8-7-11(2)3/h7-8,10-11,14H,4-6,9H2,1-3H3/b8-7-,14-10+
InChIKeyFKCNLXXICCFTFM-HCDFZPOGSA-N
XLogP3.22
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.22
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

(Z)-2-[(2-fluoro-1-methyl-2H-pyridin-6-yl)methyl]-3-iminoprop-1-en-1-amine
CID 165121016
(1-butyl-2H-pyridin-5-yl)methanimine
CID 53974862
N-[1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]-3-iminopropan-1-amine
CID 90048178
N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine
CID 91314131
4-(Diethylamino)cyclohexa-1,3-diene-1-carboximidamide
CID 123620499
2-Methyl-7-propan-2-yl-1,3,4,5-tetrahydropyrido[3,4-c]azepine
CID 124009778
[1-[1-(1,5-dimethyl-6-propyl-2H-pyridin-3-yl)ethyl]-3-(2-methylbuta-2,3-dienyl)-5-methylidene-2H-pyrrol-4-yl]methanimine
CID 130390383
(2E)-N,N-dimethyl-2-[3-(prop-1-en-2-yliminomethyl)buta-1,3-dien-2-yl]penta-2,4-dien-1-amine
CID 143030224
ethane;N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine
CID 145121617
(2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine
CID 154954536
[(4Z)-2-ethenyl-4-ethylidene-1-methyl-5-methylidenepyrrol-3-yl]methanimine
CID 155583866
(E)-2-methyl-3-(1,3,5-trimethyl-2-methylidene-4-pyridinyl)prop-2-en-1-imine
CID 167052086

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-6-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]methanimine?
The IUPAC name of [1-ethyl-6-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]methanimine (CID 170582300) is [1-ethyl-6-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]methanimine.
What is the SMILES notation for [1-ethyl-6-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]methanimine?
The canonical SMILES for [1-ethyl-6-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]methanimine is [H]/N=C/C1=C(/C=C\C(C)C)N(CC)CCC1.
What is the InChIKey of [1-ethyl-6-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]methanimine?
The InChIKey is FKCNLXXICCFTFM-HCDFZPOGSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-15-9-5-6-12(10-14)13(15)8-7-11(2)3/h7-8,10-11,14H,4-6,9H2,1-3H3/b8-7-,14-10+.
What are the key properties of [1-ethyl-6-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]methanimine?
[1-ethyl-6-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]methanimine has a molecular weight of 206.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-6-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]methanimine is sourced from PubChem (CID 170582300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).