N-benzyl-5-methyl-2-prop-2-enyl-2,3-dihydroinden-1-imine

C20H21N — CID 166437264

IUPACN-benzyl-5-methyl-2-prop-2-enyl-2,3-dihydroinden-1-imine
SMILESC=CCC1Cc2cc(C)ccc2/C1=N/Cc1ccccc1
InChIInChI=1S/C20H21N/c1-3-7-17-13-18-12-15(2)10-11-19(18)20(17)21-14-16-8-5-4-6-9-16/h3-6,8-12,17H,1,7,13-14H2,2H3/b21-20+
InChIKeyFKTJEEYVUUWAGH-QZQOTICOSA-N
MW275.39 g/mol
LogP4.73
Rot. Bonds4

About N-benzyl-5-methyl-2-prop-2-enyl-2,3-dihydroinden-1-imine

N-benzyl-5-methyl-2-prop-2-enyl-2,3-dihydroinden-1-imine (PubChem CID 166437264) has the molecular formula C20H21N and a molecular weight of 275.39 g/mol. Its IUPAC name is N-benzyl-5-methyl-2-prop-2-enyl-2,3-dihydroinden-1-imine.

Molecular Properties

Compound NameN-benzyl-5-methyl-2-prop-2-enyl-2,3-dihydroinden-1-imine
PubChem CID166437264
Molecular FormulaC20H21N
Molecular Weight275.39 g/mol
Exact Mass275.17
IUPAC NameN-benzyl-5-methyl-2-prop-2-enyl-2,3-dihydroinden-1-imine
SMILESC=CCC1Cc2cc(C)ccc2/C1=N/Cc1ccccc1
InChIInChI=1S/C20H21N/c1-3-7-17-13-18-12-15(2)10-11-19(18)20(17)21-14-16-8-5-4-6-9-16/h3-6,8-12,17H,1,7,13-14H2,2H3/b21-20+
InChIKeyFKTJEEYVUUWAGH-QZQOTICOSA-N
XLogP4.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

N-benzyl-2,3-dihydroinden-1-imine oxide
CID 145982114
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CID 135077780
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2,4-dimethyl-5,8-diphenyl-7H-benzo[d][2]benzazepine
CID 85614091
3-methyl-5,8-diphenyl-7H-benzo[d][2]benzazepine
CID 85614103
1-[2-(2,4-Dimethylphenyl)ethyl]-3,4-dihydroisoquinoline hydrochloride
CID 85887132
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CID 2731696
N-Benzyl-1-indanimine
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CID 11299670

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-2-prop-2-enyl-2,3-dihydroinden-1-imine?
The IUPAC name of N-benzyl-5-methyl-2-prop-2-enyl-2,3-dihydroinden-1-imine (CID 166437264) is N-benzyl-5-methyl-2-prop-2-enyl-2,3-dihydroinden-1-imine.
What is the SMILES notation for N-benzyl-5-methyl-2-prop-2-enyl-2,3-dihydroinden-1-imine?
The canonical SMILES for N-benzyl-5-methyl-2-prop-2-enyl-2,3-dihydroinden-1-imine is C=CCC1Cc2cc(C)ccc2/C1=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-5-methyl-2-prop-2-enyl-2,3-dihydroinden-1-imine?
The InChIKey is FKTJEEYVUUWAGH-QZQOTICOSA-N. The full InChI is InChI=1S/C20H21N/c1-3-7-17-13-18-12-15(2)10-11-19(18)20(17)21-14-16-8-5-4-6-9-16/h3-6,8-12,17H,1,7,13-14H2,2H3/b21-20+.
What are the key properties of N-benzyl-5-methyl-2-prop-2-enyl-2,3-dihydroinden-1-imine?
N-benzyl-5-methyl-2-prop-2-enyl-2,3-dihydroinden-1-imine has a molecular weight of 275.39 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methyl-2-prop-2-enyl-2,3-dihydroinden-1-imine is sourced from PubChem (CID 166437264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).