N-[[1-(4-methoxybutyl)indol-2-yl]methyl]propan-2-amine

C17H26N2O — CID 104649908

IUPACN-[[1-(4-methoxybutyl)indol-2-yl]methyl]propan-2-amine
SMILESCOCCCCn1c(CNC(C)C)cc2ccccc21
InChIInChI=1S/C17H26N2O/c1-14(2)18-13-16-12-15-8-4-5-9-17(15)19(16)10-6-7-11-20-3/h4-5,8-9,12,14,18H,6-7,10-11,13H2,1-3H3
InChIKeyGNXIWVIBXUMPHX-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.57
Rot. Bonds8

About N-[[1-(4-methoxybutyl)indol-2-yl]methyl]propan-2-amine

N-[[1-(4-methoxybutyl)indol-2-yl]methyl]propan-2-amine (PubChem CID 104649908) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[1-(4-methoxybutyl)indol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-methoxybutyl)indol-2-yl]methyl]propan-2-amine
PubChem CID104649908
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[1-(4-methoxybutyl)indol-2-yl]methyl]propan-2-amine
SMILESCOCCCCn1c(CNC(C)C)cc2ccccc21
InChIInChI=1S/C17H26N2O/c1-14(2)18-13-16-12-15-8-4-5-9-17(15)19(16)10-6-7-11-20-3/h4-5,8-9,12,14,18H,6-7,10-11,13H2,1-3H3
InChIKeyGNXIWVIBXUMPHX-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
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-[[1-(3-ethoxypropyl)indol-2-yl]methyl]-2-methylpropan-1-amine
CID 65178002
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-2-yl]methanamine
CID 104567532
N-(2-methoxyethyl)-4-(2-methylindol-1-yl)butan-1-amine
CID 62563888
1-nonyl-2-propylindole
CID 19869956
1-(4-methoxybutyl)-2-methylbenzimidazole
CID 104649828
2-methyl-N-[[1-(2-propoxyethyl)indol-2-yl]methyl]propan-2-amine
CID 106458265
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146724
methyl (2S)-3-methyl-2-[(1-pentylindole-2-carbonyl)amino]butanoate
CID 155540156
N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]propan-2-amine
CID 104567613
2-iodo-1-(methoxymethyl)indole
CID 76846488
1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide
CID 71700512
N-[(2S)-1-methoxypropan-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 33342108

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxybutyl)indol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(4-methoxybutyl)indol-2-yl]methyl]propan-2-amine (CID 104649908) is N-[[1-(4-methoxybutyl)indol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(4-methoxybutyl)indol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(4-methoxybutyl)indol-2-yl]methyl]propan-2-amine is COCCCCn1c(CNC(C)C)cc2ccccc21.
What is the InChIKey of N-[[1-(4-methoxybutyl)indol-2-yl]methyl]propan-2-amine?
The InChIKey is GNXIWVIBXUMPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(2)18-13-16-12-15-8-4-5-9-17(15)19(16)10-6-7-11-20-3/h4-5,8-9,12,14,18H,6-7,10-11,13H2,1-3H3.
What are the key properties of N-[[1-(4-methoxybutyl)indol-2-yl]methyl]propan-2-amine?
N-[[1-(4-methoxybutyl)indol-2-yl]methyl]propan-2-amine has a molecular weight of 274.41 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxybutyl)indol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 104649908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).