5-(methylamino)naphthalene-1-carbaldehyde

C12H11NO — CID 143192370

IUPAC5-(methylamino)naphthalene-1-carbaldehyde
SMILESCNc1cccc2c(C=O)cccc12
InChIInChI=1S/C12H11NO/c1-13-12-7-3-5-10-9(8-14)4-2-6-11(10)12/h2-8,13H,1H3
InChIKeyZZIHIHQKIVEMHM-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.69
Rot. Bonds2

About 5-(methylamino)naphthalene-1-carbaldehyde

5-(methylamino)naphthalene-1-carbaldehyde (PubChem CID 143192370) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 5-(methylamino)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name5-(methylamino)naphthalene-1-carbaldehyde
PubChem CID143192370
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name5-(methylamino)naphthalene-1-carbaldehyde
SMILESCNc1cccc2c(C=O)cccc12
InChIInChI=1S/C12H11NO/c1-13-12-7-3-5-10-9(8-14)4-2-6-11(10)12/h2-8,13H,1H3
InChIKeyZZIHIHQKIVEMHM-UHFFFAOYSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5-(methylamino)naphthalen-1-yl]boronic acid
CID 86235248
acetylene;ethane;2-(methylamino)benzaldehyde;1,4-xylene
CID 143924722
ethane;5-ethyl-N-methylnaphthalen-1-amine
CID 143402697
naphthalene-1-carbaldehyde;zinc
CID 88790891
naphthalene-1-carbaldehyde;hydroiodide
CID 172736279
5-bromonaphthalene-1,6-dicarbaldehyde
CID 22151791
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
4-(5,5-dimethyl-1,3-dioxan-2-yl)naphthalene-1-carbaldehyde
CID 22999173
2,3-difluoro-4-(methylamino)benzaldehyde
CID 141426329
4-bromonaphthalene-1-carbaldehyde;1,4-dibromonaphthalene;ethane
CID 158185704
[2-(methylamino)phenyl]methylidenetungsten
CID 20722819
2-(2,3-dimethylanilino)benzaldehyde
CID 15027376

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)naphthalene-1-carbaldehyde?
The IUPAC name of 5-(methylamino)naphthalene-1-carbaldehyde (CID 143192370) is 5-(methylamino)naphthalene-1-carbaldehyde.
What is the SMILES notation for 5-(methylamino)naphthalene-1-carbaldehyde?
The canonical SMILES for 5-(methylamino)naphthalene-1-carbaldehyde is CNc1cccc2c(C=O)cccc12.
What is the InChIKey of 5-(methylamino)naphthalene-1-carbaldehyde?
The InChIKey is ZZIHIHQKIVEMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-13-12-7-3-5-10-9(8-14)4-2-6-11(10)12/h2-8,13H,1H3.
What are the key properties of 5-(methylamino)naphthalene-1-carbaldehyde?
5-(methylamino)naphthalene-1-carbaldehyde has a molecular weight of 185.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)naphthalene-1-carbaldehyde is sourced from PubChem (CID 143192370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).