1-(4-methylpentyl)indol-4-amine

C14H20N2 — CID 83157136

IUPAC1-(4-methylpentyl)indol-4-amine
SMILESCC(C)CCCn1ccc2c(N)cccc21
InChIInChI=1S/C14H20N2/c1-11(2)5-4-9-16-10-8-12-13(15)6-3-7-14(12)16/h3,6-8,10-11H,4-5,9,15H2,1-2H3
InChIKeyFMNVJBSIETWNPB-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.66
Rot. Bonds4

About 1-(4-methylpentyl)indol-4-amine

1-(4-methylpentyl)indol-4-amine (PubChem CID 83157136) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-(4-methylpentyl)indol-4-amine.

Molecular Properties

Compound Name1-(4-methylpentyl)indol-4-amine
PubChem CID83157136
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-(4-methylpentyl)indol-4-amine
SMILESCC(C)CCCn1ccc2c(N)cccc21
InChIInChI=1S/C14H20N2/c1-11(2)5-4-9-16-10-8-12-13(15)6-3-7-14(12)16/h3,6-8,10-11H,4-5,9,15H2,1-2H3
InChIKeyFMNVJBSIETWNPB-UHFFFAOYSA-N
XLogP3.66
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)indol-4-amine?
The IUPAC name of 1-(4-methylpentyl)indol-4-amine (CID 83157136) is 1-(4-methylpentyl)indol-4-amine.
What is the SMILES notation for 1-(4-methylpentyl)indol-4-amine?
The canonical SMILES for 1-(4-methylpentyl)indol-4-amine is CC(C)CCCn1ccc2c(N)cccc21.
What is the InChIKey of 1-(4-methylpentyl)indol-4-amine?
The InChIKey is FMNVJBSIETWNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11(2)5-4-9-16-10-8-12-13(15)6-3-7-14(12)16/h3,6-8,10-11H,4-5,9,15H2,1-2H3.
What are the key properties of 1-(4-methylpentyl)indol-4-amine?
1-(4-methylpentyl)indol-4-amine has a molecular weight of 216.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)indol-4-amine is sourced from PubChem (CID 83157136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).