N-(1-but-1-en-2-ylnaphthalen-2-yl)methanimine

C15H15N — CID 129183037

IUPACN-(1-but-1-en-2-ylnaphthalen-2-yl)methanimine
SMILESC=Nc1ccc2ccccc2c1C(=C)CC
InChIInChI=1S/C15H15N/c1-4-11(2)15-13-8-6-5-7-12(13)9-10-14(15)16-3/h5-10H,2-4H2,1H3
InChIKeyAELCZNYWAJINLB-UHFFFAOYSA-N
MW209.29 g/mol
LogP4.60
Rot. Bonds3

About N-(1-but-1-en-2-ylnaphthalen-2-yl)methanimine

N-(1-but-1-en-2-ylnaphthalen-2-yl)methanimine (PubChem CID 129183037) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(1-but-1-en-2-ylnaphthalen-2-yl)methanimine.

Molecular Properties

Compound NameN-(1-but-1-en-2-ylnaphthalen-2-yl)methanimine
PubChem CID129183037
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC NameN-(1-but-1-en-2-ylnaphthalen-2-yl)methanimine
SMILESC=Nc1ccc2ccccc2c1C(=C)CC
InChIInChI=1S/C15H15N/c1-4-11(2)15-13-8-6-5-7-12(13)9-10-14(15)16-3/h5-10H,2-4H2,1H3
InChIKeyAELCZNYWAJINLB-UHFFFAOYSA-N
XLogP4.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 54.60
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

N-(1-ethenylnaphthalen-2-yl)methanimine
CID 144754524
2-methyl-1-prop-1-en-2-ylnaphthalene
CID 123573503
chrysene;2-methylprop-1-ene
CID 173244266
N-pyren-1-ylmethanimine
CID 175327459
N-methylmethanimine;naphthalene;propane
CID 90934060
N-naphthalen-1-ylpropanimidoyl chloride
CID 134896814
2-(1-prop-1-en-2-ylnaphthalen-2-yl)ethanethiol
CID 130240545
ethane;methane;phenanthrene
CID 144938954
phenanthrene;phosphinous acid
CID 174826862
ethane;methane;phenanthrene
CID 144939263
1-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-2-ol
CID 135766896
N-methyl-2-naphthalen-1-ylprop-2-en-1-imine
CID 139239744

Frequently Asked Questions

What is the IUPAC name of N-(1-but-1-en-2-ylnaphthalen-2-yl)methanimine?
The IUPAC name of N-(1-but-1-en-2-ylnaphthalen-2-yl)methanimine (CID 129183037) is N-(1-but-1-en-2-ylnaphthalen-2-yl)methanimine.
What is the SMILES notation for N-(1-but-1-en-2-ylnaphthalen-2-yl)methanimine?
The canonical SMILES for N-(1-but-1-en-2-ylnaphthalen-2-yl)methanimine is C=Nc1ccc2ccccc2c1C(=C)CC.
What is the InChIKey of N-(1-but-1-en-2-ylnaphthalen-2-yl)methanimine?
The InChIKey is AELCZNYWAJINLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-4-11(2)15-13-8-6-5-7-12(13)9-10-14(15)16-3/h5-10H,2-4H2,1H3.
What are the key properties of N-(1-but-1-en-2-ylnaphthalen-2-yl)methanimine?
N-(1-but-1-en-2-ylnaphthalen-2-yl)methanimine has a molecular weight of 209.29 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-but-1-en-2-ylnaphthalen-2-yl)methanimine is sourced from PubChem (CID 129183037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).