3-ethyl-1H-indol-6-amine;N-methylformamide

C12H17N3O — CID 155742399

IUPAC3-ethyl-1H-indol-6-amine;N-methylformamide
SMILESCCc1c[nH]c2cc(N)ccc12.CNC=O
InChIInChI=1S/C10H12N2.C2H5NO/c1-2-7-6-12-10-5-8(11)3-4-9(7)10;1-3-2-4/h3-6,12H,2,11H2,1H3;2H,1H3,(H,3,4)
InChIKeyUFYYCXKTLWMMPU-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.67
Rot. Bonds2

About 3-ethyl-1H-indol-6-amine;N-methylformamide

3-ethyl-1H-indol-6-amine;N-methylformamide (PubChem CID 155742399) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-ethyl-1H-indol-6-amine;N-methylformamide.

Molecular Properties

Compound Name3-ethyl-1H-indol-6-amine;N-methylformamide
PubChem CID155742399
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-ethyl-1H-indol-6-amine;N-methylformamide
SMILESCCc1c[nH]c2cc(N)ccc12.CNC=O
InChIInChI=1S/C10H12N2.C2H5NO/c1-2-7-6-12-10-5-8(11)3-4-9(7)10;1-3-2-4/h3-6,12H,2,11H2,1H3;2H,1H3,(H,3,4)
InChIKeyUFYYCXKTLWMMPU-UHFFFAOYSA-N
XLogP1.67
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-amino-1H-indol-3-yl)-N-methylacetamide
CID 155392040
3-[(propan-2-ylamino)methyl]-1H-indol-6-amine
CID 117178576
6-amino-4-ethyl-2H-isoquinolin-1-one
CID 115063533
(3-ethyl-1H-indol-6-yl)methanamine
CID 115014328
3-ethyl-6-iodo-1H-indole
CID 135269455
2-acetamido-3-(6-amino-1H-indol-3-yl)propanoic acid
CID 166609016
methyl 3-ethyl-1H-indole-6-carboxylate
CID 22627226
3-ethyl-1H-indole;methanamine
CID 142222050
1-(6-amino-1H-indol-3-yl)ethyl formate
CID 174775620
3-propan-2-yl-1H-indol-6-amine
CID 45117013
6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide
CID 106180453
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide
CID 107211217

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1H-indol-6-amine;N-methylformamide?
The IUPAC name of 3-ethyl-1H-indol-6-amine;N-methylformamide (CID 155742399) is 3-ethyl-1H-indol-6-amine;N-methylformamide.
What is the SMILES notation for 3-ethyl-1H-indol-6-amine;N-methylformamide?
The canonical SMILES for 3-ethyl-1H-indol-6-amine;N-methylformamide is CCc1c[nH]c2cc(N)ccc12.CNC=O.
What is the InChIKey of 3-ethyl-1H-indol-6-amine;N-methylformamide?
The InChIKey is UFYYCXKTLWMMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C2H5NO/c1-2-7-6-12-10-5-8(11)3-4-9(7)10;1-3-2-4/h3-6,12H,2,11H2,1H3;2H,1H3,(H,3,4).
What are the key properties of 3-ethyl-1H-indol-6-amine;N-methylformamide?
3-ethyl-1H-indol-6-amine;N-methylformamide has a molecular weight of 219.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1H-indol-6-amine;N-methylformamide is sourced from PubChem (CID 155742399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).