N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine

C16H24N2O — CID 55021174

IUPACN-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
SMILESCC(C)COCCCNCc1c[nH]c2ccccc12
InChIInChI=1S/C16H24N2O/c1-13(2)12-19-9-5-8-17-10-14-11-18-16-7-4-3-6-15(14)16/h3-4,6-7,11,13,17-18H,5,8-10,12H2,1-2H3
InChIKeyLEBJADUHJQQDAS-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.32
Rot. Bonds8

About N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine

N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine (PubChem CID 55021174) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
PubChem CID55021174
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
SMILESCC(C)COCCCNCc1c[nH]c2ccccc12
InChIInChI=1S/C16H24N2O/c1-13(2)12-19-9-5-8-17-10-14-11-18-16-7-4-3-6-15(14)16/h3-4,6-7,11,13,17-18H,5,8-10,12H2,1-2H3
InChIKeyLEBJADUHJQQDAS-UHFFFAOYSA-N
XLogP3.32
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 55021172
2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine
CID 62325957
3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine
CID 115215625
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 110997130
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111753394
N-(1-benzofuran-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 80701629
N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine
CID 60663580
N-[(2-fluorophenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 28681841
N-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 107234778
1-N-(1H-indol-3-ylmethyl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 55024666
N-(1H-indol-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843083
3-(2-methylpropoxy)-N-[(2-nitrophenyl)methyl]propan-1-amine
CID 28681887

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine?
The IUPAC name of N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine (CID 55021174) is N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine is CC(C)COCCCNCc1c[nH]c2ccccc12.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine?
The InChIKey is LEBJADUHJQQDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(2)12-19-9-5-8-17-10-14-11-18-16-7-4-3-6-15(14)16/h3-4,6-7,11,13,17-18H,5,8-10,12H2,1-2H3.
What are the key properties of N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine?
N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine is sourced from PubChem (CID 55021174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).