3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]butan-1-ol

C15H23NO — CID 83177492

IUPAC3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]butan-1-ol
SMILESCC(CCO)NC1c2ccccc2CC1(C)C
InChIInChI=1S/C15H23NO/c1-11(8-9-17)16-14-13-7-5-4-6-12(13)10-15(14,2)3/h4-7,11,14,16-17H,8-10H2,1-3H3
InChIKeyXGKLDSUTYDKBKL-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.67
Rot. Bonds4

About 3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]butan-1-ol

3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]butan-1-ol (PubChem CID 83177492) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]butan-1-ol
PubChem CID83177492
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]butan-1-ol
SMILESCC(CCO)NC1c2ccccc2CC1(C)C
InChIInChI=1S/C15H23NO/c1-11(8-9-17)16-14-13-7-5-4-6-12(13)10-15(14,2)3/h4-7,11,14,16-17H,8-10H2,1-3H3
InChIKeyXGKLDSUTYDKBKL-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]butan-1-ol?
The IUPAC name of 3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]butan-1-ol (CID 83177492) is 3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]butan-1-ol.
What is the SMILES notation for 3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]butan-1-ol?
The canonical SMILES for 3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]butan-1-ol is CC(CCO)NC1c2ccccc2CC1(C)C.
What is the InChIKey of 3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]butan-1-ol?
The InChIKey is XGKLDSUTYDKBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(8-9-17)16-14-13-7-5-4-6-12(13)10-15(14,2)3/h4-7,11,14,16-17H,8-10H2,1-3H3.
What are the key properties of 3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]butan-1-ol?
3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]butan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]butan-1-ol is sourced from PubChem (CID 83177492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).