7-(dimethylamino)naphthalene-1,3-dicarbaldehyde

C14H13NO2 — CID 156902677

IUPAC7-(dimethylamino)naphthalene-1,3-dicarbaldehyde
SMILESCN(C)c1ccc2cc(C=O)cc(C=O)c2c1
InChIInChI=1S/C14H13NO2/c1-15(2)13-4-3-11-5-10(8-16)6-12(9-17)14(11)7-13/h3-9H,1-2H3
InChIKeyBNSFPDMSBPBMKQ-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.53
Rot. Bonds3

About 7-(dimethylamino)naphthalene-1,3-dicarbaldehyde

7-(dimethylamino)naphthalene-1,3-dicarbaldehyde (PubChem CID 156902677) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 7-(dimethylamino)naphthalene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name7-(dimethylamino)naphthalene-1,3-dicarbaldehyde
PubChem CID156902677
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name7-(dimethylamino)naphthalene-1,3-dicarbaldehyde
SMILESCN(C)c1ccc2cc(C=O)cc(C=O)c2c1
InChIInChI=1S/C14H13NO2/c1-15(2)13-4-3-11-5-10(8-16)6-12(9-17)14(11)7-13/h3-9H,1-2H3
InChIKeyBNSFPDMSBPBMKQ-UHFFFAOYSA-N
XLogP2.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(dimethylamino)-3-hydroxynaphthalene-2-carbaldehyde
CID 72547952
5-(dimethylamino)-2-nitrosobenzaldehyde
CID 5235856
6-(dimethylamino)-4-methylnaphthalen-2-ol
CID 129179748
4-[[6-(dimethylamino)quinolin-4-yl]amino]benzaldehyde
CID 157043577
naphthalene-2,6-dicarbaldehyde
CID 159038637
4-(dimethylamino)benzaldehyde;1,2,3,5-tetramethylbenzene
CID 174445102
N,N,8-trimethylnaphthalen-2-amine
CID 118617152
7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one
CID 122626734
2,5-diformylbenzene-1,4-dicarbonitrile;bis(4-(dimethylamino)benzaldehyde);2,5-dimethylbenzene-1,4-dicarbonitrile
CID 158391600
2-[7-(dimethylamino)-4-methyl-2-oxoquinolin-1-yl]acetaldehyde
CID 59398176
4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde
CID 102222128
2-chloro-6-(dimethylamino)pyridine-4-carbaldehyde
CID 115016813

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)naphthalene-1,3-dicarbaldehyde?
The IUPAC name of 7-(dimethylamino)naphthalene-1,3-dicarbaldehyde (CID 156902677) is 7-(dimethylamino)naphthalene-1,3-dicarbaldehyde.
What is the SMILES notation for 7-(dimethylamino)naphthalene-1,3-dicarbaldehyde?
The canonical SMILES for 7-(dimethylamino)naphthalene-1,3-dicarbaldehyde is CN(C)c1ccc2cc(C=O)cc(C=O)c2c1.
What is the InChIKey of 7-(dimethylamino)naphthalene-1,3-dicarbaldehyde?
The InChIKey is BNSFPDMSBPBMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-15(2)13-4-3-11-5-10(8-16)6-12(9-17)14(11)7-13/h3-9H,1-2H3.
What are the key properties of 7-(dimethylamino)naphthalene-1,3-dicarbaldehyde?
7-(dimethylamino)naphthalene-1,3-dicarbaldehyde has a molecular weight of 227.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)naphthalene-1,3-dicarbaldehyde is sourced from PubChem (CID 156902677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).