N-butan-2-yl-1-(2,3-dihydropyridin-4-yl)-3-methylbut-2-en-1-imine

C14H22N2 — CID 90841481

IUPACN-butan-2-yl-1-(2,3-dihydropyridin-4-yl)-3-methylbut-2-en-1-imine
SMILESCCC(C)/N=C(\C=C(C)C)C1=CC=NCC1
InChIInChI=1S/C14H22N2/c1-5-12(4)16-14(10-11(2)3)13-6-8-15-9-7-13/h6,8,10,12H,5,7,9H2,1-4H3/b16-14+
InChIKeyVDJYGZKFQSJLEO-JQIJEIRASA-N
MW218.34 g/mol
LogP3.59
Rot. Bonds4

About N-butan-2-yl-1-(2,3-dihydropyridin-4-yl)-3-methylbut-2-en-1-imine

N-butan-2-yl-1-(2,3-dihydropyridin-4-yl)-3-methylbut-2-en-1-imine (PubChem CID 90841481) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-butan-2-yl-1-(2,3-dihydropyridin-4-yl)-3-methylbut-2-en-1-imine.

Molecular Properties

Compound NameN-butan-2-yl-1-(2,3-dihydropyridin-4-yl)-3-methylbut-2-en-1-imine
PubChem CID90841481
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-butan-2-yl-1-(2,3-dihydropyridin-4-yl)-3-methylbut-2-en-1-imine
SMILESCCC(C)/N=C(\C=C(C)C)C1=CC=NCC1
InChIInChI=1S/C14H22N2/c1-5-12(4)16-14(10-11(2)3)13-6-8-15-9-7-13/h6,8,10,12H,5,7,9H2,1-4H3/b16-14+
InChIKeyVDJYGZKFQSJLEO-JQIJEIRASA-N
XLogP3.59
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.59
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

(E)-N-cyclohexyl-2-ethylbut-2-en-1-imine
CID 127262357
(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine
CID 135038641
N-cyclohexyl-6-methylhept-5-en-2-imine
CID 11009116
(E)-N-cyclohexyl-2-ethylhept-2-en-1-imine
CID 23394363
2,4,6-Trimethyl-2,3-dihydropyridine
CID 53631314
2,4-Dimethyl-2,3-dihydropyridine
CID 53803640
3-Butyl-6-methyl-2,5-dihydropyridine
CID 57086307
[3-(2-methylpropylidene)-4,5-dihydro-2H-pyridin-2-yl]methanimine
CID 57216431
2,3-Diethyl-2,5-dihydropyridine
CID 57226784
2-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2,3-dihydropyridine
CID 59887795
2-Methyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinoline
CID 67877650

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(2,3-dihydropyridin-4-yl)-3-methylbut-2-en-1-imine?
The IUPAC name of N-butan-2-yl-1-(2,3-dihydropyridin-4-yl)-3-methylbut-2-en-1-imine (CID 90841481) is N-butan-2-yl-1-(2,3-dihydropyridin-4-yl)-3-methylbut-2-en-1-imine.
What is the SMILES notation for N-butan-2-yl-1-(2,3-dihydropyridin-4-yl)-3-methylbut-2-en-1-imine?
The canonical SMILES for N-butan-2-yl-1-(2,3-dihydropyridin-4-yl)-3-methylbut-2-en-1-imine is CCC(C)/N=C(\C=C(C)C)C1=CC=NCC1.
What is the InChIKey of N-butan-2-yl-1-(2,3-dihydropyridin-4-yl)-3-methylbut-2-en-1-imine?
The InChIKey is VDJYGZKFQSJLEO-JQIJEIRASA-N. The full InChI is InChI=1S/C14H22N2/c1-5-12(4)16-14(10-11(2)3)13-6-8-15-9-7-13/h6,8,10,12H,5,7,9H2,1-4H3/b16-14+.
What are the key properties of N-butan-2-yl-1-(2,3-dihydropyridin-4-yl)-3-methylbut-2-en-1-imine?
N-butan-2-yl-1-(2,3-dihydropyridin-4-yl)-3-methylbut-2-en-1-imine has a molecular weight of 218.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(2,3-dihydropyridin-4-yl)-3-methylbut-2-en-1-imine is sourced from PubChem (CID 90841481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).