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

C21H23N — CID 87492364

IUPAC2,2-dimethyl-1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]propan-1-imine
SMILES[H]/N=C(/c1cc2ccccc2cc1C1=CC(C)=CC1)C(C)(C)C
InChIInChI=1S/C21H23N/c1-14-9-10-17(11-14)18-12-15-7-5-6-8-16(15)13-19(18)20(22)21(2,3)4/h5-9,11-13,22H,10H2,1-4H3/b22-20-
InChIKeyIORXMVXBJVRRFS-XDOYNYLZSA-N
MW289.42 g/mol
LogP5.99
Rot. Bonds2

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

2,2-dimethyl-1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]propan-1-imine (PubChem CID 87492364) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]propan-1-imine.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]propan-1-imine
PubChem CID87492364
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name2,2-dimethyl-1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]propan-1-imine
SMILES[H]/N=C(/c1cc2ccccc2cc1C1=CC(C)=CC1)C(C)(C)C
InChIInChI=1S/C21H23N/c1-14-9-10-17(11-14)18-12-15-7-5-6-8-16(15)13-19(18)20(22)21(2,3)4/h5-9,11-13,22H,10H2,1-4H3/b22-20-
InChIKeyIORXMVXBJVRRFS-XDOYNYLZSA-N
XLogP5.99
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.99
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

2,2-dimethyl-1-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]propan-1-imine
CID 87492755
1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]ethanone
CID 23015879
1-[2-[3-(2,2-dimethylpropanimidoyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine
CID 87493127
2,2-dimethyl-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]propan-1-imine
CID 87494078
2-methyl-N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]propan-2-amine
CID 23014795
N-tert-butyl-1-[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]methanimine
CID 23015455
(2-methylphenyl)-naphthalen-2-ylmethanimine
CID 44721075
[3-[2-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine
CID 91005986
2-(3,5-dimethylcyclohepta-1,3,5-trien-1-yl)-3-(3,5-dimethylphenyl)benzo[g]quinoxaline
CID 155365452
2-(3-phenylnaphthalen-2-yl)propan-2-ol
CID 59806754
[3-(3-methylcyclopenta-2,4-dien-1-yl)naphthalen-2-yl]-phenylmethanimine
CID 141067416
[3-(3,5-ditert-butylbenzenecarboximidoyl)-2-pyren-2-ylphenyl]-(3,5-ditert-butylphenyl)methanimine
CID 177401262

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]propan-1-imine?
The IUPAC name of 2,2-dimethyl-1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]propan-1-imine (CID 87492364) is 2,2-dimethyl-1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]propan-1-imine.
What is the SMILES notation for 2,2-dimethyl-1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]propan-1-imine?
The canonical SMILES for 2,2-dimethyl-1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]propan-1-imine is [H]/N=C(/c1cc2ccccc2cc1C1=CC(C)=CC1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]propan-1-imine?
The InChIKey is IORXMVXBJVRRFS-XDOYNYLZSA-N. The full InChI is InChI=1S/C21H23N/c1-14-9-10-17(11-14)18-12-15-7-5-6-8-16(15)13-19(18)20(22)21(2,3)4/h5-9,11-13,22H,10H2,1-4H3/b22-20-.
What are the key properties of 2,2-dimethyl-1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]propan-1-imine?
2,2-dimethyl-1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]propan-1-imine has a molecular weight of 289.42 g/mol, XLogP of 5.99, 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-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]propan-1-imine is sourced from PubChem (CID 87492364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).