2-(ethylaminomethyl)-1-propan-2-ylindol-6-amine

C14H21N3 — CID 117180819

IUPAC2-(ethylaminomethyl)-1-propan-2-ylindol-6-amine
SMILESCCNCc1cc2ccc(N)cc2n1C(C)C
InChIInChI=1S/C14H21N3/c1-4-16-9-13-7-11-5-6-12(15)8-14(11)17(13)10(2)3/h5-8,10,16H,4,9,15H2,1-3H3
InChIKeyFLSTVYGHVYANHU-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.91
Rot. Bonds4

About 2-(ethylaminomethyl)-1-propan-2-ylindol-6-amine

2-(ethylaminomethyl)-1-propan-2-ylindol-6-amine (PubChem CID 117180819) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-1-propan-2-ylindol-6-amine.

Molecular Properties

Compound Name2-(ethylaminomethyl)-1-propan-2-ylindol-6-amine
PubChem CID117180819
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-(ethylaminomethyl)-1-propan-2-ylindol-6-amine
SMILESCCNCc1cc2ccc(N)cc2n1C(C)C
InChIInChI=1S/C14H21N3/c1-4-16-9-13-7-11-5-6-12(15)8-14(11)17(13)10(2)3/h5-8,10,16H,4,9,15H2,1-3H3
InChIKeyFLSTVYGHVYANHU-UHFFFAOYSA-N
XLogP2.91
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-1-propan-2-ylindol-6-amine?
The IUPAC name of 2-(ethylaminomethyl)-1-propan-2-ylindol-6-amine (CID 117180819) is 2-(ethylaminomethyl)-1-propan-2-ylindol-6-amine.
What is the SMILES notation for 2-(ethylaminomethyl)-1-propan-2-ylindol-6-amine?
The canonical SMILES for 2-(ethylaminomethyl)-1-propan-2-ylindol-6-amine is CCNCc1cc2ccc(N)cc2n1C(C)C.
What is the InChIKey of 2-(ethylaminomethyl)-1-propan-2-ylindol-6-amine?
The InChIKey is FLSTVYGHVYANHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-16-9-13-7-11-5-6-12(15)8-14(11)17(13)10(2)3/h5-8,10,16H,4,9,15H2,1-3H3.
What are the key properties of 2-(ethylaminomethyl)-1-propan-2-ylindol-6-amine?
2-(ethylaminomethyl)-1-propan-2-ylindol-6-amine has a molecular weight of 231.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-1-propan-2-ylindol-6-amine is sourced from PubChem (CID 117180819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).