4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride

C16H27Cl2N3O — CID 120564829

IUPAC4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCC(C)N1CCc2ccccc21.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-12(17)7-8-16(20)18-11-13(2)19-10-9-14-5-3-4-6-15(14)19;;/h3-6,12-13H,7-11,17H2,1-2H3,(H,18,20);2*1H
InChIKeyTVYYZBHTEJARBC-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.52
Rot. Bonds6

About 4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride

4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride (PubChem CID 120564829) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is 4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride
PubChem CID120564829
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCC(C)N1CCc2ccccc21.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-12(17)7-8-16(20)18-11-13(2)19-10-9-14-5-3-4-6-15(14)19;;/h3-6,12-13H,7-11,17H2,1-2H3,(H,18,20);2*1H
InChIKeyTVYYZBHTEJARBC-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119953257
4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pentanamide;hydrochloride
CID 120562063
2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride
CID 119946701
(2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide
CID 94028724
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111504884
2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119856818
(3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 51725598
2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 119856819
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea
CID 112820237
4-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide
CID 120565087
1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-(2-methoxyphenyl)urea
CID 38887344
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895780

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride (CID 120564829) is 4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride is CC(N)CCC(=O)NCC(C)N1CCc2ccccc21.Cl.Cl.
What is the InChIKey of 4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride?
The InChIKey is TVYYZBHTEJARBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-12(17)7-8-16(20)18-11-13(2)19-10-9-14-5-3-4-6-15(14)19;;/h3-6,12-13H,7-11,17H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride?
4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride is sourced from PubChem (CID 120564829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).