N-[1-(8-methyl-8,8a-dihydronaphthalen-1-yl)ethyl]ethanimine

C15H19N — CID 91595441

IUPACN-[1-(8-methyl-8,8a-dihydronaphthalen-1-yl)ethyl]ethanimine
SMILESC/C=N/C(C)C1=CC=CC2=CC=CC(C)C21
InChIInChI=1S/C15H19N/c1-4-16-12(3)14-10-6-9-13-8-5-7-11(2)15(13)14/h4-12,15H,1-3H3/b16-4+
InChIKeyXLMCJKFCQLBKTP-AYSLTRBKSA-N
MW213.32 g/mol
LogP3.71
Rot. Bonds2

About N-[1-(8-methyl-8,8a-dihydronaphthalen-1-yl)ethyl]ethanimine

N-[1-(8-methyl-8,8a-dihydronaphthalen-1-yl)ethyl]ethanimine (PubChem CID 91595441) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[1-(8-methyl-8,8a-dihydronaphthalen-1-yl)ethyl]ethanimine.

Molecular Properties

Compound NameN-[1-(8-methyl-8,8a-dihydronaphthalen-1-yl)ethyl]ethanimine
PubChem CID91595441
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC NameN-[1-(8-methyl-8,8a-dihydronaphthalen-1-yl)ethyl]ethanimine
SMILESC/C=N/C(C)C1=CC=CC2=CC=CC(C)C21
InChIInChI=1S/C15H19N/c1-4-16-12(3)14-10-6-9-13-8-5-7-11(2)15(13)14/h4-12,15H,1-3H3/b16-4+
InChIKeyXLMCJKFCQLBKTP-AYSLTRBKSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.71
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(8-methyl-8,8a-dihydronaphthalen-1-yl)ethyl]ethanimine?
The IUPAC name of N-[1-(8-methyl-8,8a-dihydronaphthalen-1-yl)ethyl]ethanimine (CID 91595441) is N-[1-(8-methyl-8,8a-dihydronaphthalen-1-yl)ethyl]ethanimine.
What is the SMILES notation for N-[1-(8-methyl-8,8a-dihydronaphthalen-1-yl)ethyl]ethanimine?
The canonical SMILES for N-[1-(8-methyl-8,8a-dihydronaphthalen-1-yl)ethyl]ethanimine is C/C=N/C(C)C1=CC=CC2=CC=CC(C)C21.
What is the InChIKey of N-[1-(8-methyl-8,8a-dihydronaphthalen-1-yl)ethyl]ethanimine?
The InChIKey is XLMCJKFCQLBKTP-AYSLTRBKSA-N. The full InChI is InChI=1S/C15H19N/c1-4-16-12(3)14-10-6-9-13-8-5-7-11(2)15(13)14/h4-12,15H,1-3H3/b16-4+.
What are the key properties of N-[1-(8-methyl-8,8a-dihydronaphthalen-1-yl)ethyl]ethanimine?
N-[1-(8-methyl-8,8a-dihydronaphthalen-1-yl)ethyl]ethanimine has a molecular weight of 213.32 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(8-methyl-8,8a-dihydronaphthalen-1-yl)ethyl]ethanimine is sourced from PubChem (CID 91595441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).