1-(6-ethylnaphthalen-2-yl)propan-1-imine

C15H17N — CID 137447304

IUPAC1-(6-ethylnaphthalen-2-yl)propan-1-imine
SMILES[H]/N=C(\CC)c1ccc2cc(CC)ccc2c1
InChIInChI=1S/C15H17N/c1-3-11-5-6-13-10-14(15(16)4-2)8-7-12(13)9-11/h5-10,16H,3-4H2,1-2H3/b16-15+
InChIKeyWTAWWRLRAJYJCW-FOCLMDBBSA-N
MW211.31 g/mol
LogP4.18
Rot. Bonds3

About 1-(6-ethylnaphthalen-2-yl)propan-1-imine

1-(6-ethylnaphthalen-2-yl)propan-1-imine (PubChem CID 137447304) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(6-ethylnaphthalen-2-yl)propan-1-imine.

Molecular Properties

Compound Name1-(6-ethylnaphthalen-2-yl)propan-1-imine
PubChem CID137447304
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name1-(6-ethylnaphthalen-2-yl)propan-1-imine
SMILES[H]/N=C(\CC)c1ccc2cc(CC)ccc2c1
InChIInChI=1S/C15H17N/c1-3-11-5-6-13-10-14(15(16)4-2)8-7-12(13)9-11/h5-10,16H,3-4H2,1-2H3/b16-15+
InChIKeyWTAWWRLRAJYJCW-FOCLMDBBSA-N
XLogP4.18
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.18
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 1-(6-ethylnaphthalen-2-yl)propan-1-imine?
The IUPAC name of 1-(6-ethylnaphthalen-2-yl)propan-1-imine (CID 137447304) is 1-(6-ethylnaphthalen-2-yl)propan-1-imine.
What is the SMILES notation for 1-(6-ethylnaphthalen-2-yl)propan-1-imine?
The canonical SMILES for 1-(6-ethylnaphthalen-2-yl)propan-1-imine is [H]/N=C(\CC)c1ccc2cc(CC)ccc2c1.
What is the InChIKey of 1-(6-ethylnaphthalen-2-yl)propan-1-imine?
The InChIKey is WTAWWRLRAJYJCW-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H17N/c1-3-11-5-6-13-10-14(15(16)4-2)8-7-12(13)9-11/h5-10,16H,3-4H2,1-2H3/b16-15+.
What are the key properties of 1-(6-ethylnaphthalen-2-yl)propan-1-imine?
1-(6-ethylnaphthalen-2-yl)propan-1-imine has a molecular weight of 211.31 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylnaphthalen-2-yl)propan-1-imine is sourced from PubChem (CID 137447304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).