[3-[2-methyl-1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine

C23H27N — CID 91231049

IUPAC[3-[2-methyl-1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine
SMILES[H]/N=C/c1cc2ccccc2cc1C(C)(C)CC1=C(C)C(C)=CC1C
InChIInChI=1S/C23H27N/c1-15-10-16(2)21(17(15)3)13-23(4,5)22-12-19-9-7-6-8-18(19)11-20(22)14-24/h6-12,14,16,24H,13H2,1-5H3/b24-14+
InChIKeyGQJKEIWGXPTTDG-ZVHZXABRSA-N
MW317.48 g/mol
LogP6.42
Rot. Bonds4

About [3-[2-methyl-1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine

[3-[2-methyl-1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine (PubChem CID 91231049) has the molecular formula C23H27N and a molecular weight of 317.48 g/mol. Its IUPAC name is [3-[2-methyl-1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine.

Molecular Properties

Compound Name[3-[2-methyl-1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine
PubChem CID91231049
Molecular FormulaC23H27N
Molecular Weight317.48 g/mol
Exact Mass317.21
IUPAC Name[3-[2-methyl-1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine
SMILES[H]/N=C/c1cc2ccccc2cc1C(C)(C)CC1=C(C)C(C)=CC1C
InChIInChI=1S/C23H27N/c1-15-10-16(2)21(17(15)3)13-23(4,5)22-12-19-9-7-6-8-18(19)11-20(22)14-24/h6-12,14,16,24H,13H2,1-5H3/b24-14+
InChIKeyGQJKEIWGXPTTDG-ZVHZXABRSA-N
XLogP6.42
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.48
LogP ≤ 56.42
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-(3-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine
CID 91005986
[2-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine
CID 90836351
2,3-ditert-butylnaphthalene
CID 14173307
3-methanimidoyl-N'-methylnaphthalene-2-carboximidamide
CID 143752649
3-methanimidoyl-4-methylaniline
CID 142987257
N-methylaniline;naphthalen-1-ylmethanimine
CID 143565448
2-[[3-methanimidoyl-6-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]acetaldehyde
CID 166648312
2-tert-butyl-3-[(E)-4-phenylbut-1-enyl]naphthalene
CID 100923189
cyclohexyl-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine
CID 87493289
(2-methylsulfanylphenyl)methanimine
CID 88561931
(2-iodophenyl)methanimine
CID 91565501
[3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine
CID 174897118

Frequently Asked Questions

What is the IUPAC name of [3-[2-methyl-1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine?
The IUPAC name of [3-[2-methyl-1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine (CID 91231049) is [3-[2-methyl-1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine.
What is the SMILES notation for [3-[2-methyl-1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine?
The canonical SMILES for [3-[2-methyl-1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine is [H]/N=C/c1cc2ccccc2cc1C(C)(C)CC1=C(C)C(C)=CC1C.
What is the InChIKey of [3-[2-methyl-1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine?
The InChIKey is GQJKEIWGXPTTDG-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H27N/c1-15-10-16(2)21(17(15)3)13-23(4,5)22-12-19-9-7-6-8-18(19)11-20(22)14-24/h6-12,14,16,24H,13H2,1-5H3/b24-14+.
What are the key properties of [3-[2-methyl-1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine?
[3-[2-methyl-1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine has a molecular weight of 317.48 g/mol, XLogP of 6.42, 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-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine is sourced from PubChem (CID 91231049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).