5-(diethylamino)-1-methylindole-2-carbaldehyde

C14H18N2O — CID 105488256

IUPAC5-(diethylamino)-1-methylindole-2-carbaldehyde
SMILESCCN(CC)c1ccc2c(c1)cc(C=O)n2C
InChIInChI=1S/C14H18N2O/c1-4-16(5-2)12-6-7-14-11(8-12)9-13(10-17)15(14)3/h6-10H,4-5H2,1-3H3
InChIKeyJDAHBOSJXGVHAZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.84
Rot. Bonds4

About 5-(diethylamino)-1-methylindole-2-carbaldehyde

5-(diethylamino)-1-methylindole-2-carbaldehyde (PubChem CID 105488256) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-(diethylamino)-1-methylindole-2-carbaldehyde.

Molecular Properties

Compound Name5-(diethylamino)-1-methylindole-2-carbaldehyde
PubChem CID105488256
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-(diethylamino)-1-methylindole-2-carbaldehyde
SMILESCCN(CC)c1ccc2c(c1)cc(C=O)n2C
InChIInChI=1S/C14H18N2O/c1-4-16(5-2)12-6-7-14-11(8-12)9-13(10-17)15(14)3/h6-10H,4-5H2,1-3H3
InChIKeyJDAHBOSJXGVHAZ-UHFFFAOYSA-N
XLogP2.84
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.84
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

1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde
CID 82415580
1-methyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde
CID 105485170
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde
CID 84665767
5-(diethylamino)-2-formylbenzoic acid
CID 20568014
4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate
CID 159168735
2-ethenyl-5-fluoro-1-methylindole
CID 56833976
ethyl 5-[bis(2-chloroethyl)amino]-1-methylindole-2-carboxylate
CID 10688716
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
1-benzylsulfonyl-5-(diethylamino)indole-3-carbaldehyde
CID 175971261
N,N-diethyl-2-methylquinolin-6-amine
CID 23464022
N,N-diethylpyren-2-amine
CID 122393290

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-1-methylindole-2-carbaldehyde?
The IUPAC name of 5-(diethylamino)-1-methylindole-2-carbaldehyde (CID 105488256) is 5-(diethylamino)-1-methylindole-2-carbaldehyde.
What is the SMILES notation for 5-(diethylamino)-1-methylindole-2-carbaldehyde?
The canonical SMILES for 5-(diethylamino)-1-methylindole-2-carbaldehyde is CCN(CC)c1ccc2c(c1)cc(C=O)n2C.
What is the InChIKey of 5-(diethylamino)-1-methylindole-2-carbaldehyde?
The InChIKey is JDAHBOSJXGVHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-16(5-2)12-6-7-14-11(8-12)9-13(10-17)15(14)3/h6-10H,4-5H2,1-3H3.
What are the key properties of 5-(diethylamino)-1-methylindole-2-carbaldehyde?
5-(diethylamino)-1-methylindole-2-carbaldehyde has a molecular weight of 230.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-1-methylindole-2-carbaldehyde is sourced from PubChem (CID 105488256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).