N-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine

C17H26N2O — CID 107234778

IUPACN-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
SMILESCC(C)COCCCNCc1cn(C)c2ccccc12
InChIInChI=1S/C17H26N2O/c1-14(2)13-20-10-6-9-18-11-15-12-19(3)17-8-5-4-7-16(15)17/h4-5,7-8,12,14,18H,6,9-11,13H2,1-3H3
InChIKeySPELUVHIQPVTOO-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.33
Rot. Bonds8

About N-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine

N-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine (PubChem CID 107234778) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
PubChem CID107234778
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
SMILESCC(C)COCCCNCc1cn(C)c2ccccc12
InChIInChI=1S/C17H26N2O/c1-14(2)13-20-10-6-9-18-11-15-12-19(3)17-8-5-4-7-16(15)17/h4-5,7-8,12,14,18H,6,9-11,13H2,1-3H3
InChIKeySPELUVHIQPVTOO-UHFFFAOYSA-N
XLogP3.33
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106040437
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 107235630
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119
N-(1-benzofuran-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 80701629
N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 107236224
N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 55021174
N-[(2-fluorophenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 28681841
3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide
CID 107235566
5-[(1-methylindol-3-yl)methylamino]pentanamide
CID 106233935
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 43770150
ethyl 4-[(1-methylindol-3-yl)methylamino]butanoate
CID 65072383
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine?
The IUPAC name of N-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine (CID 107234778) is N-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine.
What is the SMILES notation for N-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine?
The canonical SMILES for N-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine is CC(C)COCCCNCc1cn(C)c2ccccc12.
What is the InChIKey of N-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine?
The InChIKey is SPELUVHIQPVTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(2)13-20-10-6-9-18-11-15-12-19(3)17-8-5-4-7-16(15)17/h4-5,7-8,12,14,18H,6,9-11,13H2,1-3H3.
What are the key properties of N-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine?
N-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine is sourced from PubChem (CID 107234778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).