2,3,7-trimethyl-1H-indol-4-amine;N-(2,3,7-trimethyl-1H-indol-4-yl)acetamide;hydrochloride

C24H31ClN4O — CID 158184805

IUPAC2,3,7-trimethyl-1H-indol-4-amine;N-(2,3,7-trimethyl-1H-indol-4-yl)acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(C)c2[nH]c(C)c(C)c12.Cc1[nH]c2c(C)ccc(N)c2c1C.Cl
InChIInChI=1S/C13H16N2O.C11H14N2.ClH/c1-7-5-6-11(15-10(4)16)12-8(2)9(3)14-13(7)12;1-6-4-5-9(12)10-7(2)8(3)13-11(6)10;/h5-6,14H,1-4H3,(H,15,16);4-5,13H,12H2,1-3H3;1H
InChIKeyBFZDXQAQVMHNQO-UHFFFAOYSA-N
MW426.99 g/mol
LogP6.15
Rot. Bonds1

About 2,3,7-trimethyl-1H-indol-4-amine;N-(2,3,7-trimethyl-1H-indol-4-yl)acetamide;hydrochloride

2,3,7-trimethyl-1H-indol-4-amine;N-(2,3,7-trimethyl-1H-indol-4-yl)acetamide;hydrochloride (PubChem CID 158184805) has the molecular formula C24H31ClN4O and a molecular weight of 426.99 g/mol. Its IUPAC name is 2,3,7-trimethyl-1H-indol-4-amine;N-(2,3,7-trimethyl-1H-indol-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2,3,7-trimethyl-1H-indol-4-amine;N-(2,3,7-trimethyl-1H-indol-4-yl)acetamide;hydrochloride
PubChem CID158184805
Molecular FormulaC24H31ClN4O
Molecular Weight426.99 g/mol
Exact Mass426.22
IUPAC Name2,3,7-trimethyl-1H-indol-4-amine;N-(2,3,7-trimethyl-1H-indol-4-yl)acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(C)c2[nH]c(C)c(C)c12.Cc1[nH]c2c(C)ccc(N)c2c1C.Cl
InChIInChI=1S/C13H16N2O.C11H14N2.ClH/c1-7-5-6-11(15-10(4)16)12-8(2)9(3)14-13(7)12;1-6-4-5-9(12)10-7(2)8(3)13-11(6)10;/h5-6,14H,1-4H3,(H,15,16);4-5,13H,12H2,1-3H3;1H
InChIKeyBFZDXQAQVMHNQO-UHFFFAOYSA-N
XLogP6.15
TPSA86.70 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.99
LogP ≤ 56.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,7-trimethyl-1H-indol-4-amine;hydrochloride
CID 67973093
N,2,3,7-tetramethyl-1H-indol-4-amine
CID 118600283
N-(2,3,7-trimethyl-1H-indol-6-yl)acetamide
CID 19787509
N-(8-methyl-2-oxo-1H-quinolin-5-yl)acetamide
CID 130007544
2-(4-amino-2,7-dimethyl-1H-indol-3-yl)ethanol
CID 67987205
4-amino-2,3-dimethyl-1H-indole-7-carboxamide;4-amino-1H-indole-7-carboxamide;7-ethyl-1H-indol-4-amine;7-methyl-1H-indol-4-amine
CID 160626496
(4-amino-2,3-dimethyl-1H-indol-7-yl)-methoxymethanol
CID 129236952
N,N,2,3,7-pentamethyl-1H-indol-4-amine
CID 118600288
N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride
CID 17385562
N-(8-methyl-2-oxo-1H-quinolin-3-yl)acetamide
CID 14627531
N-[3-amino-4-methyl-2-(trifluoromethylsulfonyl)phenyl]acetamide
CID 163046685
N-(4-aminonaphthalen-1-yl)acetamide;aniline
CID 143752661

Frequently Asked Questions

What is the IUPAC name of 2,3,7-trimethyl-1H-indol-4-amine;N-(2,3,7-trimethyl-1H-indol-4-yl)acetamide;hydrochloride?
The IUPAC name of 2,3,7-trimethyl-1H-indol-4-amine;N-(2,3,7-trimethyl-1H-indol-4-yl)acetamide;hydrochloride (CID 158184805) is 2,3,7-trimethyl-1H-indol-4-amine;N-(2,3,7-trimethyl-1H-indol-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2,3,7-trimethyl-1H-indol-4-amine;N-(2,3,7-trimethyl-1H-indol-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2,3,7-trimethyl-1H-indol-4-amine;N-(2,3,7-trimethyl-1H-indol-4-yl)acetamide;hydrochloride is CC(=O)Nc1ccc(C)c2[nH]c(C)c(C)c12.Cc1[nH]c2c(C)ccc(N)c2c1C.Cl.
What is the InChIKey of 2,3,7-trimethyl-1H-indol-4-amine;N-(2,3,7-trimethyl-1H-indol-4-yl)acetamide;hydrochloride?
The InChIKey is BFZDXQAQVMHNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.C11H14N2.ClH/c1-7-5-6-11(15-10(4)16)12-8(2)9(3)14-13(7)12;1-6-4-5-9(12)10-7(2)8(3)13-11(6)10;/h5-6,14H,1-4H3,(H,15,16);4-5,13H,12H2,1-3H3;1H.
What are the key properties of 2,3,7-trimethyl-1H-indol-4-amine;N-(2,3,7-trimethyl-1H-indol-4-yl)acetamide;hydrochloride?
2,3,7-trimethyl-1H-indol-4-amine;N-(2,3,7-trimethyl-1H-indol-4-yl)acetamide;hydrochloride has a molecular weight of 426.99 g/mol, XLogP of 6.15, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7-trimethyl-1H-indol-4-amine;N-(2,3,7-trimethyl-1H-indol-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 158184805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).