(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride

C18H30Cl2N4O — CID 119891314

IUPAC(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc2ccn(CCN(C)C)c2c1.Cl.Cl
InChIInChI=1S/C18H28N4O.2ClH/c1-13(2)11-16(19)18(23)20-15-6-5-14-7-8-22(17(14)12-15)10-9-21(3)4;;/h5-8,12-13,16H,9-11,19H2,1-4H3,(H,20,23);2*1H/t16-;;/m0../s1
InChIKeyYYCQLUQBQJIJDE-SQKCAUCHSA-N
MW389.37 g/mol
LogP3.36
Rot. Bonds7

About (2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride

(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride (PubChem CID 119891314) has the molecular formula C18H30Cl2N4O and a molecular weight of 389.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride
PubChem CID119891314
Molecular FormulaC18H30Cl2N4O
Molecular Weight389.37 g/mol
Exact Mass388.18
IUPAC Name(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc2ccn(CCN(C)C)c2c1.Cl.Cl
InChIInChI=1S/C18H28N4O.2ClH/c1-13(2)11-16(19)18(23)20-15-6-5-14-7-8-22(17(14)12-15)10-9-21(3)4;;/h5-8,12-13,16H,9-11,19H2,1-4H3,(H,20,23);2*1H/t16-;;/m0../s1
InChIKeyYYCQLUQBQJIJDE-SQKCAUCHSA-N
XLogP3.36
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-phenylpropanamide;dihydrochloride
CID 119891246
2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800919
(2S)-2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide
CID 119764210
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-hydroxy-2-phenylacetamide
CID 111539900
2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methylpropanamide
CID 119891239
2-amino-N-(1-propylindol-6-yl)pentanamide;hydrochloride
CID 119331199
1-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]cyclopropane-1-carboxamide
CID 119891229
4-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methoxybutanamide
CID 120597119
4-(aminomethyl)-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]benzamide
CID 119891273
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111539901
2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide
CID 119957554
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]morpholine-3-carboxamide;dihydrochloride
CID 119891236

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride (CID 119891314) is (2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride is CC(C)C[C@H](N)C(=O)Nc1ccc2ccn(CCN(C)C)c2c1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride?
The InChIKey is YYCQLUQBQJIJDE-SQKCAUCHSA-N. The full InChI is InChI=1S/C18H28N4O.2ClH/c1-13(2)11-16(19)18(23)20-15-6-5-14-7-8-22(17(14)12-15)10-9-21(3)4;;/h5-8,12-13,16H,9-11,19H2,1-4H3,(H,20,23);2*1H/t16-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride?
(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride has a molecular weight of 389.37 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride is sourced from PubChem (CID 119891314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).