4-(1H-indol-3-yl)butan-2-amine;4-(1H-indol-3-yl)butan-2-one

C24H29N3O — CID 158100790

IUPAC4-(1H-indol-3-yl)butan-2-amine;4-(1H-indol-3-yl)butan-2-one
SMILESCC(=O)CCc1c[nH]c2ccccc12.CC(N)CCc1c[nH]c2ccccc12
InChIInChI=1S/C12H16N2.C12H13NO/c1-9(13)6-7-10-8-14-12-5-3-2-4-11(10)12;1-9(14)6-7-10-8-13-12-5-3-2-4-11(10)12/h2-5,8-9,14H,6-7,13H2,1H3;2-5,8,13H,6-7H2,1H3
InChIKeyFPFOQQSAVZIDBM-UHFFFAOYSA-N
MW375.52 g/mol
LogP5.14
Rot. Bonds6

About 4-(1H-indol-3-yl)butan-2-amine;4-(1H-indol-3-yl)butan-2-one

4-(1H-indol-3-yl)butan-2-amine;4-(1H-indol-3-yl)butan-2-one (PubChem CID 158100790) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)butan-2-amine;4-(1H-indol-3-yl)butan-2-one.

Molecular Properties

Compound Name4-(1H-indol-3-yl)butan-2-amine;4-(1H-indol-3-yl)butan-2-one
PubChem CID158100790
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name4-(1H-indol-3-yl)butan-2-amine;4-(1H-indol-3-yl)butan-2-one
SMILESCC(=O)CCc1c[nH]c2ccccc12.CC(N)CCc1c[nH]c2ccccc12
InChIInChI=1S/C12H16N2.C12H13NO/c1-9(13)6-7-10-8-14-12-5-3-2-4-11(10)12;1-9(14)6-7-10-8-13-12-5-3-2-4-11(10)12/h2-5,8-9,14H,6-7,13H2,1H3;2-5,8,13H,6-7H2,1H3
InChIKeyFPFOQQSAVZIDBM-UHFFFAOYSA-N
XLogP5.14
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-(1H-indol-3-yl)butan-2-amine;4-(1H-indol-3-yl)butan-2-one 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

1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513
(2S)-2-amino-4-(1H-indol-3-yl)butanoic acid;hydrate
CID 140978088
N-(2-amino-2-oxoethyl)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 43397899
N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 123961243
1-(1H-indol-3-yl)hexan-3-one
CID 166814803
acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905
3-(1H-indol-3-yl)-N-methyl-N-(4-methylpentan-2-yl)propanamide
CID 42951930
N-(2-amino-3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 64539569
N-(4-hydroxy-2-methylbutyl)-3-(1H-indol-3-yl)propanamide
CID 66109220
3-(1H-indol-3-yl)propanoyloxidanium
CID 142492757
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
(3S)-3-amino-6-(1H-indol-3-yl)-4-oxohexanoic acid
CID 173302249

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)butan-2-amine;4-(1H-indol-3-yl)butan-2-one?
The IUPAC name of 4-(1H-indol-3-yl)butan-2-amine;4-(1H-indol-3-yl)butan-2-one (CID 158100790) is 4-(1H-indol-3-yl)butan-2-amine;4-(1H-indol-3-yl)butan-2-one.
What is the SMILES notation for 4-(1H-indol-3-yl)butan-2-amine;4-(1H-indol-3-yl)butan-2-one?
The canonical SMILES for 4-(1H-indol-3-yl)butan-2-amine;4-(1H-indol-3-yl)butan-2-one is CC(=O)CCc1c[nH]c2ccccc12.CC(N)CCc1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-yl)butan-2-amine;4-(1H-indol-3-yl)butan-2-one?
The InChIKey is FPFOQQSAVZIDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.C12H13NO/c1-9(13)6-7-10-8-14-12-5-3-2-4-11(10)12;1-9(14)6-7-10-8-13-12-5-3-2-4-11(10)12/h2-5,8-9,14H,6-7,13H2,1H3;2-5,8,13H,6-7H2,1H3.
What are the key properties of 4-(1H-indol-3-yl)butan-2-amine;4-(1H-indol-3-yl)butan-2-one?
4-(1H-indol-3-yl)butan-2-amine;4-(1H-indol-3-yl)butan-2-one has a molecular weight of 375.52 g/mol, XLogP of 5.14, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)butan-2-amine;4-(1H-indol-3-yl)butan-2-one is sourced from PubChem (CID 158100790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).