3-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]propan-1-ol

C16H24N2O — CID 83944932

IUPAC3-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]propan-1-ol
SMILESCc1ccc(C)c2c1c(CCCO)cn2CCCN
InChIInChI=1S/C16H24N2O/c1-12-6-7-13(2)16-15(12)14(5-3-10-19)11-18(16)9-4-8-17/h6-7,11,19H,3-5,8-10,17H2,1-2H3
InChIKeyDMTCMJADAMUOOJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.53
Rot. Bonds6

About 3-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]propan-1-ol

3-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]propan-1-ol (PubChem CID 83944932) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]propan-1-ol
PubChem CID83944932
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]propan-1-ol
SMILESCc1ccc(C)c2c1c(CCCO)cn2CCCN
InChIInChI=1S/C16H24N2O/c1-12-6-7-13(2)16-15(12)14(5-3-10-19)11-18(16)9-4-8-17/h6-7,11,19H,3-5,8-10,17H2,1-2H3
InChIKeyDMTCMJADAMUOOJ-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-(4,7-dimethyl-3-propylindol-1-yl)propan-1-amine
CID 83948548
3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol
CID 83944989
2-(4,7-dimethyl-3-propylindol-1-yl)ethanol
CID 83944887
1-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]ethanol
CID 83944930
3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-7-carboxylic acid
CID 83946411
3-(7-methoxy-1,4-dimethylindol-3-yl)propan-1-amine
CID 82495903
1-(3-aminopropyl)-3-ethyl-4,7-dimethylindole-5-carboxylic acid
CID 83963356
3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol
CID 83945213
3-[1-(2-aminoethyl)-6-methylindol-3-yl]propan-1-ol
CID 83945302
3-(3-aminopropyl)-1-(3-hydroxypropyl)indole-7-carboxylic acid
CID 83945437
3-(1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 117197455
1,3-bis(2-aminoethyl)-4,7-dimethylindole-5-carboxylic acid
CID 83963375

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]propan-1-ol?
The IUPAC name of 3-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]propan-1-ol (CID 83944932) is 3-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]propan-1-ol is Cc1ccc(C)c2c1c(CCCO)cn2CCCN.
What is the InChIKey of 3-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]propan-1-ol?
The InChIKey is DMTCMJADAMUOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-6-7-13(2)16-15(12)14(5-3-10-19)11-18(16)9-4-8-17/h6-7,11,19H,3-5,8-10,17H2,1-2H3.
What are the key properties of 3-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]propan-1-ol?
3-[1-(3-aminopropyl)-4,7-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)-4,7-dimethylindol-3-yl]propan-1-ol is sourced from PubChem (CID 83944932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).