(2E)-2-benzylidene-N-propyl-3,4-dihydronaphthalen-1-imine

C20H21N — CID 10492669

IUPAC(2E)-2-benzylidene-N-propyl-3,4-dihydronaphthalen-1-imine
SMILESCCC/N=C1C(=C/c2ccccc2)/CCc2ccccc2/1
InChIInChI=1S/C20H21N/c1-2-14-21-20-18(15-16-8-4-3-5-9-16)13-12-17-10-6-7-11-19(17)20/h3-11,15H,2,12-14H2,1H3/b18-15+,21-20-
InChIKeyYLKFQOWTWHSEAI-MOOSWKITSA-N
MW275.39 g/mol
LogP4.92
Rot. Bonds3

About (2E)-2-benzylidene-N-propyl-3,4-dihydronaphthalen-1-imine

(2E)-2-benzylidene-N-propyl-3,4-dihydronaphthalen-1-imine (PubChem CID 10492669) has the molecular formula C20H21N and a molecular weight of 275.39 g/mol. Its IUPAC name is (2E)-2-benzylidene-N-propyl-3,4-dihydronaphthalen-1-imine.

Molecular Properties

Compound Name(2E)-2-benzylidene-N-propyl-3,4-dihydronaphthalen-1-imine
PubChem CID10492669
Molecular FormulaC20H21N
Molecular Weight275.39 g/mol
Exact Mass275.17
IUPAC Name(2E)-2-benzylidene-N-propyl-3,4-dihydronaphthalen-1-imine
SMILESCCC/N=C1C(=C/c2ccccc2)/CCc2ccccc2/1
InChIInChI=1S/C20H21N/c1-2-14-21-20-18(15-16-8-4-3-5-9-16)13-12-17-10-6-7-11-19(17)20/h3-11,15H,2,12-14H2,1H3/b18-15+,21-20-
InChIKeyYLKFQOWTWHSEAI-MOOSWKITSA-N
XLogP4.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-benzylidene-N-methoxy-3H-inden-1-imine
CID 175907535
4-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-N,N-dimethylaniline
CID 6508665
benzaldehyde;(2E)-2-benzylidene-3,4-dihydronaphthalen-1-one;3,4-dihydro-2H-naphthalen-1-one
CID 158089765
ethane;(3E)-3-propylidene-1,2-dihydroindene
CID 143438466
(2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 5468147
(2Z)-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one
CID 6159604
2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 101437430
(4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one
CID 10399128
[4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl] acetate
CID 754458
9,10-dihydrophenanthrene;ethane
CID 143759681
3,5-dibenzylidene-1-butylpiperidin-4-one
CID 54431976
(2E)-2-[(3,5-dibromophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 163907659

Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-N-propyl-3,4-dihydronaphthalen-1-imine?
The IUPAC name of (2E)-2-benzylidene-N-propyl-3,4-dihydronaphthalen-1-imine (CID 10492669) is (2E)-2-benzylidene-N-propyl-3,4-dihydronaphthalen-1-imine.
What is the SMILES notation for (2E)-2-benzylidene-N-propyl-3,4-dihydronaphthalen-1-imine?
The canonical SMILES for (2E)-2-benzylidene-N-propyl-3,4-dihydronaphthalen-1-imine is CCC/N=C1C(=C/c2ccccc2)/CCc2ccccc2/1.
What is the InChIKey of (2E)-2-benzylidene-N-propyl-3,4-dihydronaphthalen-1-imine?
The InChIKey is YLKFQOWTWHSEAI-MOOSWKITSA-N. The full InChI is InChI=1S/C20H21N/c1-2-14-21-20-18(15-16-8-4-3-5-9-16)13-12-17-10-6-7-11-19(17)20/h3-11,15H,2,12-14H2,1H3/b18-15+,21-20-.
What are the key properties of (2E)-2-benzylidene-N-propyl-3,4-dihydronaphthalen-1-imine?
(2E)-2-benzylidene-N-propyl-3,4-dihydronaphthalen-1-imine has a molecular weight of 275.39 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-N-propyl-3,4-dihydronaphthalen-1-imine is sourced from PubChem (CID 10492669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).