N-(2-propan-2-yloxyethyl)-1H-indol-5-amine

C13H18N2O — CID 118901042

IUPACN-(2-propan-2-yloxyethyl)-1H-indol-5-amine
SMILESCC(C)OCCNc1ccc2[nH]ccc2c1
InChIInChI=1S/C13H18N2O/c1-10(2)16-8-7-14-12-3-4-13-11(9-12)5-6-15-13/h3-6,9-10,14-15H,7-8H2,1-2H3
InChIKeyHNDVBOLFBYYVRO-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.00
Rot. Bonds5

About N-(2-propan-2-yloxyethyl)-1H-indol-5-amine

N-(2-propan-2-yloxyethyl)-1H-indol-5-amine (PubChem CID 118901042) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(2-propan-2-yloxyethyl)-1H-indol-5-amine.

Molecular Properties

Compound NameN-(2-propan-2-yloxyethyl)-1H-indol-5-amine
PubChem CID118901042
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(2-propan-2-yloxyethyl)-1H-indol-5-amine
SMILESCC(C)OCCNc1ccc2[nH]ccc2c1
InChIInChI=1S/C13H18N2O/c1-10(2)16-8-7-14-12-3-4-13-11(9-12)5-6-15-13/h3-6,9-10,14-15H,7-8H2,1-2H3
InChIKeyHNDVBOLFBYYVRO-UHFFFAOYSA-N
XLogP3.00
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyethyl)-1H-indol-5-amine?
The IUPAC name of N-(2-propan-2-yloxyethyl)-1H-indol-5-amine (CID 118901042) is N-(2-propan-2-yloxyethyl)-1H-indol-5-amine.
What is the SMILES notation for N-(2-propan-2-yloxyethyl)-1H-indol-5-amine?
The canonical SMILES for N-(2-propan-2-yloxyethyl)-1H-indol-5-amine is CC(C)OCCNc1ccc2[nH]ccc2c1.
What is the InChIKey of N-(2-propan-2-yloxyethyl)-1H-indol-5-amine?
The InChIKey is HNDVBOLFBYYVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(2)16-8-7-14-12-3-4-13-11(9-12)5-6-15-13/h3-6,9-10,14-15H,7-8H2,1-2H3.
What are the key properties of N-(2-propan-2-yloxyethyl)-1H-indol-5-amine?
N-(2-propan-2-yloxyethyl)-1H-indol-5-amine has a molecular weight of 218.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyethyl)-1H-indol-5-amine is sourced from PubChem (CID 118901042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).