1-(3-methoxypropyl)indol-6-amine

C12H16N2O — CID 58005499

IUPAC1-(3-methoxypropyl)indol-6-amine
SMILESCOCCCn1ccc2ccc(N)cc21
InChIInChI=1S/C12H16N2O/c1-15-8-2-6-14-7-5-10-3-4-11(13)9-12(10)14/h3-5,7,9H,2,6,8,13H2,1H3
InChIKeyLZGSSLQEGNXARU-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.26
Rot. Bonds4

About 1-(3-methoxypropyl)indol-6-amine

1-(3-methoxypropyl)indol-6-amine (PubChem CID 58005499) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(3-methoxypropyl)indol-6-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)indol-6-amine
PubChem CID58005499
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(3-methoxypropyl)indol-6-amine
SMILESCOCCCn1ccc2ccc(N)cc21
InChIInChI=1S/C12H16N2O/c1-15-8-2-6-14-7-5-10-3-4-11(13)9-12(10)14/h3-5,7,9H,2,6,8,13H2,1H3
InChIKeyLZGSSLQEGNXARU-UHFFFAOYSA-N
XLogP2.26
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)indol-6-amine?
The IUPAC name of 1-(3-methoxypropyl)indol-6-amine (CID 58005499) is 1-(3-methoxypropyl)indol-6-amine.
What is the SMILES notation for 1-(3-methoxypropyl)indol-6-amine?
The canonical SMILES for 1-(3-methoxypropyl)indol-6-amine is COCCCn1ccc2ccc(N)cc21.
What is the InChIKey of 1-(3-methoxypropyl)indol-6-amine?
The InChIKey is LZGSSLQEGNXARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-15-8-2-6-14-7-5-10-3-4-11(13)9-12(10)14/h3-5,7,9H,2,6,8,13H2,1H3.
What are the key properties of 1-(3-methoxypropyl)indol-6-amine?
1-(3-methoxypropyl)indol-6-amine has a molecular weight of 204.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)indol-6-amine is sourced from PubChem (CID 58005499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).