N-[2-(4-methoxyindol-1-yl)ethyl]heptan-2-amine

C18H28N2O — CID 83164895

IUPACN-[2-(4-methoxyindol-1-yl)ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCn1ccc2c(OC)cccc21
InChIInChI=1S/C18H28N2O/c1-4-5-6-8-15(2)19-12-14-20-13-11-16-17(20)9-7-10-18(16)21-3/h7,9-11,13,15,19H,4-6,8,12,14H2,1-3H3
InChIKeyLLSAXJQPRWEZEF-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.21
Rot. Bonds9

About N-[2-(4-methoxyindol-1-yl)ethyl]heptan-2-amine

N-[2-(4-methoxyindol-1-yl)ethyl]heptan-2-amine (PubChem CID 83164895) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[2-(4-methoxyindol-1-yl)ethyl]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyindol-1-yl)ethyl]heptan-2-amine
PubChem CID83164895
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[2-(4-methoxyindol-1-yl)ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCn1ccc2c(OC)cccc21
InChIInChI=1S/C18H28N2O/c1-4-5-6-8-15(2)19-12-14-20-13-11-16-17(20)9-7-10-18(16)21-3/h7,9-11,13,15,19H,4-6,8,12,14H2,1-3H3
InChIKeyLLSAXJQPRWEZEF-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
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

1-heptyl-4-methoxyindole
CID 83174164
N-[2-(4-methoxyindol-1-yl)ethyl]-1-thiophen-2-ylethanamine
CID 83164912
N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
CID 83163508
4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 83162352
2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide
CID 83174347
methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
4-methoxy-1-(2-pyrazol-1-ylethyl)indole
CID 83174518
N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine
CID 83162754
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine
CID 83164736
N-[2-(4-ethoxyindol-1-yl)ethyl]pentan-3-amine
CID 83162426
N-[2-(7-ethylindol-1-yl)ethyl]heptan-2-amine
CID 63504333
1-[2-(heptan-2-ylamino)ethyl]indole-6-carbonitrile
CID 107916926

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyindol-1-yl)ethyl]heptan-2-amine?
The IUPAC name of N-[2-(4-methoxyindol-1-yl)ethyl]heptan-2-amine (CID 83164895) is N-[2-(4-methoxyindol-1-yl)ethyl]heptan-2-amine.
What is the SMILES notation for N-[2-(4-methoxyindol-1-yl)ethyl]heptan-2-amine?
The canonical SMILES for N-[2-(4-methoxyindol-1-yl)ethyl]heptan-2-amine is CCCCCC(C)NCCn1ccc2c(OC)cccc21.
What is the InChIKey of N-[2-(4-methoxyindol-1-yl)ethyl]heptan-2-amine?
The InChIKey is LLSAXJQPRWEZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-5-6-8-15(2)19-12-14-20-13-11-16-17(20)9-7-10-18(16)21-3/h7,9-11,13,15,19H,4-6,8,12,14H2,1-3H3.
What are the key properties of N-[2-(4-methoxyindol-1-yl)ethyl]heptan-2-amine?
N-[2-(4-methoxyindol-1-yl)ethyl]heptan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyindol-1-yl)ethyl]heptan-2-amine is sourced from PubChem (CID 83164895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).