6-[methyl(2-oxohexyl)amino]naphthalene-2-carbaldehyde

C18H21NO2 — CID 160943487

IUPAC6-[methyl(2-oxohexyl)amino]naphthalene-2-carbaldehyde
SMILESCCCCC(=O)CN(C)c1ccc2cc(C=O)ccc2c1
InChIInChI=1S/C18H21NO2/c1-3-4-5-18(21)12-19(2)17-9-8-15-10-14(13-20)6-7-16(15)11-17/h6-11,13H,3-5,12H2,1-2H3
InChIKeyIWIBHAMBRMAHOU-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.85
Rot. Bonds7

About 6-[methyl(2-oxohexyl)amino]naphthalene-2-carbaldehyde

6-[methyl(2-oxohexyl)amino]naphthalene-2-carbaldehyde (PubChem CID 160943487) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 6-[methyl(2-oxohexyl)amino]naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-[methyl(2-oxohexyl)amino]naphthalene-2-carbaldehyde
PubChem CID160943487
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name6-[methyl(2-oxohexyl)amino]naphthalene-2-carbaldehyde
SMILESCCCCC(=O)CN(C)c1ccc2cc(C=O)ccc2c1
InChIInChI=1S/C18H21NO2/c1-3-4-5-18(21)12-19(2)17-9-8-15-10-14(13-20)6-7-16(15)11-17/h6-11,13H,3-5,12H2,1-2H3
InChIKeyIWIBHAMBRMAHOU-UHFFFAOYSA-N
XLogP3.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl(2-oxohexyl)amino]naphthalene-2-carbaldehyde?
The IUPAC name of 6-[methyl(2-oxohexyl)amino]naphthalene-2-carbaldehyde (CID 160943487) is 6-[methyl(2-oxohexyl)amino]naphthalene-2-carbaldehyde.
What is the SMILES notation for 6-[methyl(2-oxohexyl)amino]naphthalene-2-carbaldehyde?
The canonical SMILES for 6-[methyl(2-oxohexyl)amino]naphthalene-2-carbaldehyde is CCCCC(=O)CN(C)c1ccc2cc(C=O)ccc2c1.
What is the InChIKey of 6-[methyl(2-oxohexyl)amino]naphthalene-2-carbaldehyde?
The InChIKey is IWIBHAMBRMAHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-4-5-18(21)12-19(2)17-9-8-15-10-14(13-20)6-7-16(15)11-17/h6-11,13H,3-5,12H2,1-2H3.
What are the key properties of 6-[methyl(2-oxohexyl)amino]naphthalene-2-carbaldehyde?
6-[methyl(2-oxohexyl)amino]naphthalene-2-carbaldehyde has a molecular weight of 283.37 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(2-oxohexyl)amino]naphthalene-2-carbaldehyde is sourced from PubChem (CID 160943487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).