ethane;N,2,2,3,3-pentamethyl-4H-naphthalen-1-imine

C17H27N — CID 91296495

IUPACethane;N,2,2,3,3-pentamethyl-4H-naphthalen-1-imine
SMILESC/N=C1\c2ccccc2CC(C)(C)C1(C)C.CC
InChIInChI=1S/C15H21N.C2H6/c1-14(2)10-11-8-6-7-9-12(11)13(16-5)15(14,3)4;1-2/h6-9H,10H2,1-5H3;1-2H3/b16-13+;
InChIKeyUCCAHYFJOSBZCB-ZUQRMPMESA-N
MW245.41 g/mol
LogP4.74
Rot. Bonds

About ethane;N,2,2,3,3-pentamethyl-4H-naphthalen-1-imine

ethane;N,2,2,3,3-pentamethyl-4H-naphthalen-1-imine (PubChem CID 91296495) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is ethane;N,2,2,3,3-pentamethyl-4H-naphthalen-1-imine.

Molecular Properties

Compound Nameethane;N,2,2,3,3-pentamethyl-4H-naphthalen-1-imine
PubChem CID91296495
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Nameethane;N,2,2,3,3-pentamethyl-4H-naphthalen-1-imine
SMILESC/N=C1\c2ccccc2CC(C)(C)C1(C)C.CC
InChIInChI=1S/C15H21N.C2H6/c1-14(2)10-11-8-6-7-9-12(11)13(16-5)15(14,3)4;1-2/h6-9H,10H2,1-5H3;1-2H3/b16-13+;
InChIKeyUCCAHYFJOSBZCB-ZUQRMPMESA-N
XLogP4.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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9,10-dihydrophenanthrene;ethane
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methyl 2-[(2,2-dimethyl-3H-inden-1-ylidene)amino]acetate
CID 59086505
1,3,3-trimethyl-4H-isoquinoline;hydrochloride
CID 52995067
1,3,3-trimethyl-4H-isoquinolin-2-ium chloride
CID 44654585
2,10,10-trimethyl-9H-phenanthrene
CID 175802483
2-methyl-4-oxo-1,3-dihydronaphthalene-2-carboxylic acid
CID 12822852
(3Z)-2,2-dimethyl-3-(2,2,2-trifluoroethylidene)-1H-indene
CID 166442233
2,2,4,4-tetramethyl-5-methylidene-1,3-dihydro-3-benzazepine
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(2S)-2-methyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3H-inden-1-one
CID 138984515

Frequently Asked Questions

What is the IUPAC name of ethane;N,2,2,3,3-pentamethyl-4H-naphthalen-1-imine?
The IUPAC name of ethane;N,2,2,3,3-pentamethyl-4H-naphthalen-1-imine (CID 91296495) is ethane;N,2,2,3,3-pentamethyl-4H-naphthalen-1-imine.
What is the SMILES notation for ethane;N,2,2,3,3-pentamethyl-4H-naphthalen-1-imine?
The canonical SMILES for ethane;N,2,2,3,3-pentamethyl-4H-naphthalen-1-imine is C/N=C1\c2ccccc2CC(C)(C)C1(C)C.CC.
What is the InChIKey of ethane;N,2,2,3,3-pentamethyl-4H-naphthalen-1-imine?
The InChIKey is UCCAHYFJOSBZCB-ZUQRMPMESA-N. The full InChI is InChI=1S/C15H21N.C2H6/c1-14(2)10-11-8-6-7-9-12(11)13(16-5)15(14,3)4;1-2/h6-9H,10H2,1-5H3;1-2H3/b16-13+;.
What are the key properties of ethane;N,2,2,3,3-pentamethyl-4H-naphthalen-1-imine?
ethane;N,2,2,3,3-pentamethyl-4H-naphthalen-1-imine has a molecular weight of 245.41 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,2,2,3,3-pentamethyl-4H-naphthalen-1-imine is sourced from PubChem (CID 91296495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).