2,2-dimethyl-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]propan-1-imine

C17H21N — CID 87494078

IUPAC2,2-dimethyl-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]propan-1-imine
SMILES[H]/N=C(/c1ccccc1C1=C(C)C=CC1)C(C)(C)C
InChIInChI=1S/C17H21N/c1-12-8-7-11-13(12)14-9-5-6-10-15(14)16(18)17(2,3)4/h5-10,18H,11H2,1-4H3/b18-16-
InChIKeyOGEVYPBABCFFHB-VLGSPTGOSA-N
MW239.36 g/mol
LogP4.83
Rot. Bonds2

About 2,2-dimethyl-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]propan-1-imine

2,2-dimethyl-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]propan-1-imine (PubChem CID 87494078) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]propan-1-imine.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]propan-1-imine
PubChem CID87494078
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name2,2-dimethyl-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]propan-1-imine
SMILES[H]/N=C(/c1ccccc1C1=C(C)C=CC1)C(C)(C)C
InChIInChI=1S/C17H21N/c1-12-8-7-11-13(12)14-9-5-6-10-15(14)16(18)17(2,3)4/h5-10,18H,11H2,1-4H3/b18-16-
InChIKeyOGEVYPBABCFFHB-VLGSPTGOSA-N
XLogP4.83
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]propan-1-imine?
The IUPAC name of 2,2-dimethyl-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]propan-1-imine (CID 87494078) is 2,2-dimethyl-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]propan-1-imine.
What is the SMILES notation for 2,2-dimethyl-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]propan-1-imine?
The canonical SMILES for 2,2-dimethyl-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]propan-1-imine is [H]/N=C(/c1ccccc1C1=C(C)C=CC1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]propan-1-imine?
The InChIKey is OGEVYPBABCFFHB-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H21N/c1-12-8-7-11-13(12)14-9-5-6-10-15(14)16(18)17(2,3)4/h5-10,18H,11H2,1-4H3/b18-16-.
What are the key properties of 2,2-dimethyl-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]propan-1-imine?
2,2-dimethyl-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]propan-1-imine has a molecular weight of 239.36 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]propan-1-imine is sourced from PubChem (CID 87494078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).