5-butan-2-yl-1H-indole;molecular hydrogen

C12H17N — CID 144711250

IUPAC5-butan-2-yl-1H-indole;molecular hydrogen
SMILESCCC(C)c1ccc2[nH]ccc2c1.[H][H]
InChIInChI=1S/C12H15N.H2/c1-3-9(2)10-4-5-12-11(8-10)6-7-13-12;/h4-9,13H,3H2,1-2H3;1H
InChIKeyDJVVTDKLVVHWFD-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.93
Rot. Bonds2

About 5-butan-2-yl-1H-indole;molecular hydrogen

5-butan-2-yl-1H-indole;molecular hydrogen (PubChem CID 144711250) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 5-butan-2-yl-1H-indole;molecular hydrogen.

Molecular Properties

Compound Name5-butan-2-yl-1H-indole;molecular hydrogen
PubChem CID144711250
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name5-butan-2-yl-1H-indole;molecular hydrogen
SMILESCCC(C)c1ccc2[nH]ccc2c1.[H][H]
InChIInChI=1S/C12H15N.H2/c1-3-9(2)10-4-5-12-11(8-10)6-7-13-12;/h4-9,13H,3H2,1-2H3;1H
InChIKeyDJVVTDKLVVHWFD-UHFFFAOYSA-N
XLogP3.93
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

5-propan-2-yl-1H-indole
CID 10558918
5-(1-chloroethyl)-1H-indole
CID 174700849
(1R)-1-(1H-indol-5-yl)-N-methylethanamine
CID 55276552
1-(1H-indol-5-yl)heptan-1-ol
CID 81444731
hexanedioic acid;bis(1-(1H-indol-5-yl)ethanamine)
CID 15140319
6-[1-(1H-indol-5-yl)propyl]quinoxaline
CID 174566822
2-(1H-indol-5-yl)propanamide
CID 140559721
(1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine
CID 171205624
1-(1H-indol-5-yl)-2-methoxyethanamine
CID 55270804
5-butan-2-yl-3-propyl-1H-indole;ethane;molecular hydrogen
CID 143996683
3-methyl-5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole
CID 178169617
ethane;5-fluoro-1H-indole;molecular hydrogen
CID 144540127

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1H-indole;molecular hydrogen?
The IUPAC name of 5-butan-2-yl-1H-indole;molecular hydrogen (CID 144711250) is 5-butan-2-yl-1H-indole;molecular hydrogen.
What is the SMILES notation for 5-butan-2-yl-1H-indole;molecular hydrogen?
The canonical SMILES for 5-butan-2-yl-1H-indole;molecular hydrogen is CCC(C)c1ccc2[nH]ccc2c1.[H][H].
What is the InChIKey of 5-butan-2-yl-1H-indole;molecular hydrogen?
The InChIKey is DJVVTDKLVVHWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.H2/c1-3-9(2)10-4-5-12-11(8-10)6-7-13-12;/h4-9,13H,3H2,1-2H3;1H.
What are the key properties of 5-butan-2-yl-1H-indole;molecular hydrogen?
5-butan-2-yl-1H-indole;molecular hydrogen has a molecular weight of 175.28 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1H-indole;molecular hydrogen is sourced from PubChem (CID 144711250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).