N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine

C16H22N2O — CID 98032942

IUPACN-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
SMILESCOc1ccc2[nH]c(C)c(CCCNC3CC3)c2c1
InChIInChI=1S/C16H22N2O/c1-11-14(4-3-9-17-12-5-6-12)15-10-13(19-2)7-8-16(15)18-11/h7-8,10,12,17-18H,3-6,9H2,1-2H3
InChIKeyRCQLVFZZZOCHME-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.17
Rot. Bonds6

About N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine

N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine (PubChem CID 98032942) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
PubChem CID98032942
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
SMILESCOc1ccc2[nH]c(C)c(CCCNC3CC3)c2c1
InChIInChI=1S/C16H22N2O/c1-11-14(4-3-9-17-12-5-6-12)15-10-13(19-2)7-8-16(15)18-11/h7-8,10,12,17-18H,3-6,9H2,1-2H3
InChIKeyRCQLVFZZZOCHME-UHFFFAOYSA-N
XLogP3.17
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113086137
N-[2-(5-tert-butyl-2-methyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 96679064
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine
CID 3988513
5-methoxy-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole;hydrochloride
CID 21313363
N-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089
3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methyl-1H-indole
CID 21313343
2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 3586267
2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
CID 84637812
N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]-2-methylpropan-2-amine
CID 65335669
N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335671
4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine
CID 19438809
2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3419914

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine (CID 98032942) is N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine is COc1ccc2[nH]c(C)c(CCCNC3CC3)c2c1.
What is the InChIKey of N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine?
The InChIKey is RCQLVFZZZOCHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-14(4-3-9-17-12-5-6-12)15-10-13(19-2)7-8-16(15)18-11/h7-8,10,12,17-18H,3-6,9H2,1-2H3.
What are the key properties of N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine?
N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine has a molecular weight of 258.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine is sourced from PubChem (CID 98032942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).