[3-[2-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine

C21H23N — CID 91005986

IUPAC[3-[2-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine
SMILES[H]/N=C/c1cc2ccccc2cc1C(C)(C)CC1=CC(C)=CC1
InChIInChI=1S/C21H23N/c1-15-8-9-16(10-15)13-21(2,3)20-12-18-7-5-4-6-17(18)11-19(20)14-22/h4-8,10-12,14,22H,9,13H2,1-3H3/b22-14+
InChIKeySLKZRXRCPPXSAO-HYARGMPZSA-N
MW289.42 g/mol
LogP5.78
Rot. Bonds4

About [3-[2-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine

[3-[2-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine (PubChem CID 91005986) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is [3-[2-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine.

Molecular Properties

Compound Name[3-[2-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine
PubChem CID91005986
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name[3-[2-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine
SMILES[H]/N=C/c1cc2ccccc2cc1C(C)(C)CC1=CC(C)=CC1
InChIInChI=1S/C21H23N/c1-15-8-9-16(10-15)13-21(2,3)20-12-18-7-5-4-6-17(18)11-19(20)14-22/h4-8,10-12,14,22H,9,13H2,1-3H3/b22-14+
InChIKeySLKZRXRCPPXSAO-HYARGMPZSA-N
XLogP5.78
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-methyl-1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine
CID 91231049
2,3-ditert-butylnaphthalene
CID 14173307
2,2-dimethyl-1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]propan-1-imine
CID 87492364
3-methanimidoyl-N'-methylnaphthalene-2-carboximidamide
CID 143752649
2,2-dimethyl-1-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]propan-1-imine
CID 87492755
3-methyl-1-propylcyclopenta-1,3-diene
CID 18314972
N-tert-butyl-2-methanimidoylaniline
CID 170341484
[1-[2-methyl-4-(3-phenylphenyl)phenyl]naphthalen-2-yl]methanimine
CID 146369049
2-methyl-N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]propan-2-amine
CID 23014795
3-methanimidoyl-4-methylaniline
CID 142987257
anthracen-9-yl-dimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane
CID 123817246
N-methylaniline;naphthalen-1-ylmethanimine
CID 143565448

Frequently Asked Questions

What is the IUPAC name of [3-[2-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine?
The IUPAC name of [3-[2-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine (CID 91005986) is [3-[2-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine.
What is the SMILES notation for [3-[2-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine?
The canonical SMILES for [3-[2-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine is [H]/N=C/c1cc2ccccc2cc1C(C)(C)CC1=CC(C)=CC1.
What is the InChIKey of [3-[2-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine?
The InChIKey is SLKZRXRCPPXSAO-HYARGMPZSA-N. The full InChI is InChI=1S/C21H23N/c1-15-8-9-16(10-15)13-21(2,3)20-12-18-7-5-4-6-17(18)11-19(20)14-22/h4-8,10-12,14,22H,9,13H2,1-3H3/b22-14+.
What are the key properties of [3-[2-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine?
[3-[2-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine has a molecular weight of 289.42 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine is sourced from PubChem (CID 91005986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).