5-[7-[(cyclopropylamino)methyl]indol-1-yl]pentan-1-ol

C17H24N2O — CID 102914739

IUPAC5-[7-[(cyclopropylamino)methyl]indol-1-yl]pentan-1-ol
SMILESOCCCCCn1ccc2cccc(CNC3CC3)c21
InChIInChI=1S/C17H24N2O/c20-12-3-1-2-10-19-11-9-14-5-4-6-15(17(14)19)13-18-16-7-8-16/h4-6,9,11,16,18,20H,1-3,7-8,10,12-13H2
InChIKeyVJTIUPKMNUNCAA-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.06
Rot. Bonds8

About 5-[7-[(cyclopropylamino)methyl]indol-1-yl]pentan-1-ol

5-[7-[(cyclopropylamino)methyl]indol-1-yl]pentan-1-ol (PubChem CID 102914739) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-[7-[(cyclopropylamino)methyl]indol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[7-[(cyclopropylamino)methyl]indol-1-yl]pentan-1-ol
PubChem CID102914739
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name5-[7-[(cyclopropylamino)methyl]indol-1-yl]pentan-1-ol
SMILESOCCCCCn1ccc2cccc(CNC3CC3)c21
InChIInChI=1S/C17H24N2O/c20-12-3-1-2-10-19-11-9-14-5-4-6-15(17(14)19)13-18-16-7-8-16/h4-6,9,11,16,18,20H,1-3,7-8,10,12-13H2
InChIKeyVJTIUPKMNUNCAA-UHFFFAOYSA-N
XLogP3.06
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.06
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 5-[7-[(cyclopropylamino)methyl]indol-1-yl]pentan-1-ol?
The IUPAC name of 5-[7-[(cyclopropylamino)methyl]indol-1-yl]pentan-1-ol (CID 102914739) is 5-[7-[(cyclopropylamino)methyl]indol-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[7-[(cyclopropylamino)methyl]indol-1-yl]pentan-1-ol?
The canonical SMILES for 5-[7-[(cyclopropylamino)methyl]indol-1-yl]pentan-1-ol is OCCCCCn1ccc2cccc(CNC3CC3)c21.
What is the InChIKey of 5-[7-[(cyclopropylamino)methyl]indol-1-yl]pentan-1-ol?
The InChIKey is VJTIUPKMNUNCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-12-3-1-2-10-19-11-9-14-5-4-6-15(17(14)19)13-18-16-7-8-16/h4-6,9,11,16,18,20H,1-3,7-8,10,12-13H2.
What are the key properties of 5-[7-[(cyclopropylamino)methyl]indol-1-yl]pentan-1-ol?
5-[7-[(cyclopropylamino)methyl]indol-1-yl]pentan-1-ol has a molecular weight of 272.39 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[(cyclopropylamino)methyl]indol-1-yl]pentan-1-ol is sourced from PubChem (CID 102914739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).