3-amino-1-(4,4-dimethylpentyl)-2,3-dihydroinden-1-ol

C16H25NO — CID 114209780

IUPAC3-amino-1-(4,4-dimethylpentyl)-2,3-dihydroinden-1-ol
SMILESCC(C)(C)CCCC1(O)CC(N)c2ccccc21
InChIInChI=1S/C16H25NO/c1-15(2,3)9-6-10-16(18)11-14(17)12-7-4-5-8-13(12)16/h4-5,7-8,14,18H,6,9-11,17H2,1-3H3
InChIKeyUEDKGDWRYGTTEJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.49
Rot. Bonds3

About 3-amino-1-(4,4-dimethylpentyl)-2,3-dihydroinden-1-ol

3-amino-1-(4,4-dimethylpentyl)-2,3-dihydroinden-1-ol (PubChem CID 114209780) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-amino-1-(4,4-dimethylpentyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-(4,4-dimethylpentyl)-2,3-dihydroinden-1-ol
PubChem CID114209780
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-amino-1-(4,4-dimethylpentyl)-2,3-dihydroinden-1-ol
SMILESCC(C)(C)CCCC1(O)CC(N)c2ccccc21
InChIInChI=1S/C16H25NO/c1-15(2,3)9-6-10-16(18)11-14(17)12-7-4-5-8-13(12)16/h4-5,7-8,14,18H,6,9-11,17H2,1-3H3
InChIKeyUEDKGDWRYGTTEJ-UHFFFAOYSA-N
XLogP3.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4,4-dimethylpentyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-(4,4-dimethylpentyl)-2,3-dihydroinden-1-ol (CID 114209780) is 3-amino-1-(4,4-dimethylpentyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-(4,4-dimethylpentyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-(4,4-dimethylpentyl)-2,3-dihydroinden-1-ol is CC(C)(C)CCCC1(O)CC(N)c2ccccc21.
What is the InChIKey of 3-amino-1-(4,4-dimethylpentyl)-2,3-dihydroinden-1-ol?
The InChIKey is UEDKGDWRYGTTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2,3)9-6-10-16(18)11-14(17)12-7-4-5-8-13(12)16/h4-5,7-8,14,18H,6,9-11,17H2,1-3H3.
What are the key properties of 3-amino-1-(4,4-dimethylpentyl)-2,3-dihydroinden-1-ol?
3-amino-1-(4,4-dimethylpentyl)-2,3-dihydroinden-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4,4-dimethylpentyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 114209780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).