6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol

C15H21ClN2O — CID 107705897

IUPAC6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol
SMILESNCc1cn(CCCCCCO)c2cc(Cl)ccc12
InChIInChI=1S/C15H21ClN2O/c16-13-5-6-14-12(10-17)11-18(15(14)9-13)7-3-1-2-4-8-19/h5-6,9,11,19H,1-4,7-8,10,17H2
InChIKeyXDHNVTTWPXDVKB-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.31
Rot. Bonds7

About 6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol

6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol (PubChem CID 107705897) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol.

Molecular Properties

Compound Name6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol
PubChem CID107705897
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol
SMILESNCc1cn(CCCCCCO)c2cc(Cl)ccc12
InChIInChI=1S/C15H21ClN2O/c16-13-5-6-14-12(10-17)11-18(15(14)9-13)7-3-1-2-4-8-19/h5-6,9,11,19H,1-4,7-8,10,17H2
InChIKeyXDHNVTTWPXDVKB-UHFFFAOYSA-N
XLogP3.31
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol?
The IUPAC name of 6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol (CID 107705897) is 6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol.
What is the SMILES notation for 6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol?
The canonical SMILES for 6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol is NCc1cn(CCCCCCO)c2cc(Cl)ccc12.
What is the InChIKey of 6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol?
The InChIKey is XDHNVTTWPXDVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c16-13-5-6-14-12(10-17)11-18(15(14)9-13)7-3-1-2-4-8-19/h5-6,9,11,19H,1-4,7-8,10,17H2.
What are the key properties of 6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol?
6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol has a molecular weight of 280.80 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol is sourced from PubChem (CID 107705897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).