N-[[1-(3-ethoxypropyl)indol-2-yl]methyl]-2-methylpropan-1-amine

C18H28N2O — CID 65178002

IUPACN-[[1-(3-ethoxypropyl)indol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCCCn1c(CNCC(C)C)cc2ccccc21
InChIInChI=1S/C18H28N2O/c1-4-21-11-7-10-20-17(14-19-13-15(2)3)12-16-8-5-6-9-18(16)20/h5-6,8-9,12,15,19H,4,7,10-11,13-14H2,1-3H3
InChIKeyBWVBUAWULVMCDJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.81
Rot. Bonds9

About N-[[1-(3-ethoxypropyl)indol-2-yl]methyl]-2-methylpropan-1-amine

N-[[1-(3-ethoxypropyl)indol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 65178002) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[1-(3-ethoxypropyl)indol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-ethoxypropyl)indol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID65178002
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[[1-(3-ethoxypropyl)indol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCCCn1c(CNCC(C)C)cc2ccccc21
InChIInChI=1S/C18H28N2O/c1-4-21-11-7-10-20-17(14-19-13-15(2)3)12-16-8-5-6-9-18(16)20/h5-6,8-9,12,15,19H,4,7,10-11,13-14H2,1-3H3
InChIKeyBWVBUAWULVMCDJ-UHFFFAOYSA-N
XLogP3.81
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.81
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-(4-methoxybutyl)indol-2-yl]methyl]propan-2-amine
CID 104649908
2-(2-ethoxyethyl)-1-ethylindole
CID 46738621
N-[[1-(2-propan-2-ylsulfonylethyl)indol-2-yl]methyl]ethanamine
CID 106731933
2-methyl-N-[[1-(2-propoxyethyl)indol-2-yl]methyl]propan-2-amine
CID 106458265
2-(ethoxymethyl)-1-ethylindole
CID 117173973
N-methyl-1-[1-(3-methylsulfanylpropyl)indol-2-yl]methanamine
CID 113474415
1-nonyl-2-propylindole
CID 19869956
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62445450
N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65176463
N-[(1-methylindol-2-yl)methyl]propan-1-amine
CID 22593758
1-[1-(2-ethylbutyl)indol-2-yl]-N-methylmethanamine
CID 82924833
N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 55072970

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-ethoxypropyl)indol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(3-ethoxypropyl)indol-2-yl]methyl]-2-methylpropan-1-amine (CID 65178002) is N-[[1-(3-ethoxypropyl)indol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(3-ethoxypropyl)indol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(3-ethoxypropyl)indol-2-yl]methyl]-2-methylpropan-1-amine is CCOCCCn1c(CNCC(C)C)cc2ccccc21.
What is the InChIKey of N-[[1-(3-ethoxypropyl)indol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is BWVBUAWULVMCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-21-11-7-10-20-17(14-19-13-15(2)3)12-16-8-5-6-9-18(16)20/h5-6,8-9,12,15,19H,4,7,10-11,13-14H2,1-3H3.
What are the key properties of N-[[1-(3-ethoxypropyl)indol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(3-ethoxypropyl)indol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-ethoxypropyl)indol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65178002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).