2-[1-(aminomethyl)cycloheptyl]-1,3-dihydroinden-2-ol

C17H25NO — CID 79126623

IUPAC2-[1-(aminomethyl)cycloheptyl]-1,3-dihydroinden-2-ol
SMILESNCC1(C2(O)Cc3ccccc3C2)CCCCCC1
InChIInChI=1S/C17H25NO/c18-13-16(9-5-1-2-6-10-16)17(19)11-14-7-3-4-8-15(14)12-17/h3-4,7-8,19H,1-2,5-6,9-13,18H2
InChIKeyWGYKUGZGLNUVCS-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.82
Rot. Bonds2

About 2-[1-(aminomethyl)cycloheptyl]-1,3-dihydroinden-2-ol

2-[1-(aminomethyl)cycloheptyl]-1,3-dihydroinden-2-ol (PubChem CID 79126623) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cycloheptyl]-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cycloheptyl]-1,3-dihydroinden-2-ol
PubChem CID79126623
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-[1-(aminomethyl)cycloheptyl]-1,3-dihydroinden-2-ol
SMILESNCC1(C2(O)Cc3ccccc3C2)CCCCCC1
InChIInChI=1S/C17H25NO/c18-13-16(9-5-1-2-6-10-16)17(19)11-14-7-3-4-8-15(14)12-17/h3-4,7-8,19H,1-2,5-6,9-13,18H2
InChIKeyWGYKUGZGLNUVCS-UHFFFAOYSA-N
XLogP2.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cycloheptyl]-1,3-dihydroinden-2-ol?
The IUPAC name of 2-[1-(aminomethyl)cycloheptyl]-1,3-dihydroinden-2-ol (CID 79126623) is 2-[1-(aminomethyl)cycloheptyl]-1,3-dihydroinden-2-ol.
What is the SMILES notation for 2-[1-(aminomethyl)cycloheptyl]-1,3-dihydroinden-2-ol?
The canonical SMILES for 2-[1-(aminomethyl)cycloheptyl]-1,3-dihydroinden-2-ol is NCC1(C2(O)Cc3ccccc3C2)CCCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cycloheptyl]-1,3-dihydroinden-2-ol?
The InChIKey is WGYKUGZGLNUVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c18-13-16(9-5-1-2-6-10-16)17(19)11-14-7-3-4-8-15(14)12-17/h3-4,7-8,19H,1-2,5-6,9-13,18H2.
What are the key properties of 2-[1-(aminomethyl)cycloheptyl]-1,3-dihydroinden-2-ol?
2-[1-(aminomethyl)cycloheptyl]-1,3-dihydroinden-2-ol has a molecular weight of 259.39 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cycloheptyl]-1,3-dihydroinden-2-ol is sourced from PubChem (CID 79126623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).