5,7-dimethyl-3-propyl-1H-indol-4-amine

C13H18N2 — CID 170263287

IUPAC5,7-dimethyl-3-propyl-1H-indol-4-amine
SMILESCCCc1c[nH]c2c(C)cc(C)c(N)c12
InChIInChI=1S/C13H18N2/c1-4-5-10-7-15-13-9(3)6-8(2)12(14)11(10)13/h6-7,15H,4-5,14H2,1-3H3
InChIKeyAFYVJPIZCKNFGI-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.32
Rot. Bonds2

About 5,7-dimethyl-3-propyl-1H-indol-4-amine

5,7-dimethyl-3-propyl-1H-indol-4-amine (PubChem CID 170263287) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 5,7-dimethyl-3-propyl-1H-indol-4-amine.

Molecular Properties

Compound Name5,7-dimethyl-3-propyl-1H-indol-4-amine
PubChem CID170263287
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name5,7-dimethyl-3-propyl-1H-indol-4-amine
SMILESCCCc1c[nH]c2c(C)cc(C)c(N)c12
InChIInChI=1S/C13H18N2/c1-4-5-10-7-15-13-9(3)6-8(2)12(14)11(10)13/h6-7,15H,4-5,14H2,1-3H3
InChIKeyAFYVJPIZCKNFGI-UHFFFAOYSA-N
XLogP3.32
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-propyl-1H-indol-4-amine?
The IUPAC name of 5,7-dimethyl-3-propyl-1H-indol-4-amine (CID 170263287) is 5,7-dimethyl-3-propyl-1H-indol-4-amine.
What is the SMILES notation for 5,7-dimethyl-3-propyl-1H-indol-4-amine?
The canonical SMILES for 5,7-dimethyl-3-propyl-1H-indol-4-amine is CCCc1c[nH]c2c(C)cc(C)c(N)c12.
What is the InChIKey of 5,7-dimethyl-3-propyl-1H-indol-4-amine?
The InChIKey is AFYVJPIZCKNFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-5-10-7-15-13-9(3)6-8(2)12(14)11(10)13/h6-7,15H,4-5,14H2,1-3H3.
What are the key properties of 5,7-dimethyl-3-propyl-1H-indol-4-amine?
5,7-dimethyl-3-propyl-1H-indol-4-amine has a molecular weight of 202.30 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-propyl-1H-indol-4-amine is sourced from PubChem (CID 170263287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).