N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine

C13H18N2 — CID 65335557

IUPACN-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine
SMILESCCNCc1c(C)[nH]c2c(C)cccc12
InChIInChI=1S/C13H18N2/c1-4-14-8-12-10(3)15-13-9(2)6-5-7-11(12)13/h5-7,14-15H,4,8H2,1-3H3
InChIKeyQEHSBLZKZOOVTM-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.89
Rot. Bonds3

About N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine

N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine (PubChem CID 65335557) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine
PubChem CID65335557
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine
SMILESCCNCc1c(C)[nH]c2c(C)cccc12
InChIInChI=1S/C13H18N2/c1-4-14-8-12-10(3)15-13-9(2)6-5-7-11(12)13/h5-7,14-15H,4,8H2,1-3H3
InChIKeyQEHSBLZKZOOVTM-UHFFFAOYSA-N
XLogP2.89
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine (CID 65335557) is N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine is CCNCc1c(C)[nH]c2c(C)cccc12.
What is the InChIKey of N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine?
The InChIKey is QEHSBLZKZOOVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-14-8-12-10(3)15-13-9(2)6-5-7-11(12)13/h5-7,14-15H,4,8H2,1-3H3.
What are the key properties of N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine?
N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine has a molecular weight of 202.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine is sourced from PubChem (CID 65335557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).