butane;2,3-dimethyl-1H-indole

C14H21N — CID 143059445

IUPACbutane;2,3-dimethyl-1H-indole
SMILESCCCC.Cc1[nH]c2ccccc2c1C
InChIInChI=1S/C10H11N.C4H10/c1-7-8(2)11-10-6-4-3-5-9(7)10;1-3-4-2/h3-6,11H,1-2H3;3-4H2,1-2H3
InChIKeyRCNVKXIUKGQDOW-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.59
Rot. Bonds1

About butane;2,3-dimethyl-1H-indole

butane;2,3-dimethyl-1H-indole (PubChem CID 143059445) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is butane;2,3-dimethyl-1H-indole.

Molecular Properties

Compound Namebutane;2,3-dimethyl-1H-indole
PubChem CID143059445
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Namebutane;2,3-dimethyl-1H-indole
SMILESCCCC.Cc1[nH]c2ccccc2c1C
InChIInChI=1S/C10H11N.C4H10/c1-7-8(2)11-10-6-4-3-5-9(7)10;1-3-4-2/h3-6,11H,1-2H3;3-4H2,1-2H3
InChIKeyRCNVKXIUKGQDOW-UHFFFAOYSA-N
XLogP4.59
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze butane;2,3-dimethyl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dimethyl-1H-indole;molecular hydrogen
CID 142083168
2,3-dimethyl-1H-indole;ethane;1H-pyrrole
CID 159131567
2,3-dimethyl-1H-indole;(3Z)-penta-1,3-diene
CID 143016704
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
bis(9H-carbazole);propane
CID 90987002
2-methyl-3-propyl-1H-quinolin-4-one
CID 826058
3-heptyl-4-methyl-1H-quinolin-2-one
CID 70126082
4-methyl-3-pentyl-1H-quinolin-2-one
CID 46708124
3-methyl-1H-indole-2-carbonitrile
CID 593371
1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217
N,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine
CID 119082195
1-(2-methyl-1H-indol-3-yl)nonan-1-one
CID 65449117

Frequently Asked Questions

What is the IUPAC name of butane;2,3-dimethyl-1H-indole?
The IUPAC name of butane;2,3-dimethyl-1H-indole (CID 143059445) is butane;2,3-dimethyl-1H-indole.
What is the SMILES notation for butane;2,3-dimethyl-1H-indole?
The canonical SMILES for butane;2,3-dimethyl-1H-indole is CCCC.Cc1[nH]c2ccccc2c1C.
What is the InChIKey of butane;2,3-dimethyl-1H-indole?
The InChIKey is RCNVKXIUKGQDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C4H10/c1-7-8(2)11-10-6-4-3-5-9(7)10;1-3-4-2/h3-6,11H,1-2H3;3-4H2,1-2H3.
What are the key properties of butane;2,3-dimethyl-1H-indole?
butane;2,3-dimethyl-1H-indole has a molecular weight of 203.33 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2,3-dimethyl-1H-indole is sourced from PubChem (CID 143059445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).