3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol

C16H24N2O — CID 83944989

IUPAC3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol
SMILESCc1cc(C)c2c(c1)c(CCCO)cn2CCCN
InChIInChI=1S/C16H24N2O/c1-12-9-13(2)16-15(10-12)14(5-3-8-19)11-18(16)7-4-6-17/h9-11,19H,3-8,17H2,1-2H3
InChIKeyVSYPMIUQGQNDFX-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.53
Rot. Bonds6

About 3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol

3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol (PubChem CID 83944989) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol
PubChem CID83944989
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol
SMILESCc1cc(C)c2c(c1)c(CCCO)cn2CCCN
InChIInChI=1S/C16H24N2O/c1-12-9-13(2)16-15(10-12)14(5-3-8-19)11-18(16)7-4-6-17/h9-11,19H,3-8,17H2,1-2H3
InChIKeyVSYPMIUQGQNDFX-UHFFFAOYSA-N
XLogP2.53
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,7-dimethyl-3-propylindol-1-yl)propan-1-amine
CID 83948572
3-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]propan-1-ol
CID 83944932
3-(3-aminopropyl)-1-(2-hydroxyethyl)-5-methylindole-7-carboxylic acid
CID 83946040
methyl 2-[3-(3-aminopropyl)-5,7-dimethylindol-1-yl]acetate
CID 83948562
1-(2-aminoethyl)-3-(3-aminopropyl)-5-methylindole-7-carboxylic acid
CID 83946116
3-[1-(2-aminoethyl)-6-methylindol-3-yl]propan-1-ol
CID 83945302
1-[1-(3-hydroxypropyl)-5,7-dimethylindol-3-yl]ethanone
CID 83947605
3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-7-carboxylic acid
CID 83946411
3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol
CID 83945213
1,3-bis(2-aminoethyl)-7-methylindole-5-carboxylic acid
CID 83946020
3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid
CID 83946029
3-(5,7-dimethylindol-1-yl)propan-1-amine
CID 82491687

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol?
The IUPAC name of 3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol (CID 83944989) is 3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol is Cc1cc(C)c2c(c1)c(CCCO)cn2CCCN.
What is the InChIKey of 3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol?
The InChIKey is VSYPMIUQGQNDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-9-13(2)16-15(10-12)14(5-3-8-19)11-18(16)7-4-6-17/h9-11,19H,3-8,17H2,1-2H3.
What are the key properties of 3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol?
3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol is sourced from PubChem (CID 83944989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).