7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride

C18H28ClN3O — CID 119781315

IUPAC7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride
SMILESCc1cccc2c(CCNC(=O)CCCCCCN)c[nH]c12.Cl
InChIInChI=1S/C18H27N3O.ClH/c1-14-7-6-8-16-15(13-21-18(14)16)10-12-20-17(22)9-4-2-3-5-11-19;/h6-8,13,21H,2-5,9-12,19H2,1H3,(H,20,22);1H
InChIKeyLLKIKACJEBEEBS-UHFFFAOYSA-N
MW337.90 g/mol
LogP3.47
Rot. Bonds9

About 7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride

7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride (PubChem CID 119781315) has the molecular formula C18H28ClN3O and a molecular weight of 337.90 g/mol. Its IUPAC name is 7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride
PubChem CID119781315
Molecular FormulaC18H28ClN3O
Molecular Weight337.90 g/mol
Exact Mass337.19
IUPAC Name7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride
SMILESCc1cccc2c(CCNC(=O)CCCCCCN)c[nH]c12.Cl
InChIInChI=1S/C18H27N3O.ClH/c1-14-7-6-8-16-15(13-21-18(14)16)10-12-20-17(22)9-4-2-3-5-11-19;/h6-8,13,21H,2-5,9-12,19H2,1H3,(H,20,22);1H
InChIKeyLLKIKACJEBEEBS-UHFFFAOYSA-N
XLogP3.47
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.90
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 75493600
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
4-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoylamino]butanoic acid
CID 122003467
1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 111507161
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 119951412
N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 118764571
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide
CID 119779419
2-(7-methyl-1H-indol-3-yl)ethanamine chloride
CID 53351005
(2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119322305
2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 120632210
1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-[3-[(S)-methylsulfinyl]propyl]urea
CID 97318805

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride (CID 119781315) is 7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride is Cc1cccc2c(CCNC(=O)CCCCCCN)c[nH]c12.Cl.
What is the InChIKey of 7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride?
The InChIKey is LLKIKACJEBEEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.ClH/c1-14-7-6-8-16-15(13-21-18(14)16)10-12-20-17(22)9-4-2-3-5-11-19;/h6-8,13,21H,2-5,9-12,19H2,1H3,(H,20,22);1H.
What are the key properties of 7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride?
7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride has a molecular weight of 337.90 g/mol, XLogP of 3.47, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride is sourced from PubChem (CID 119781315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).