4-(tert-butylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol

C17H28N2O — CID 66001867

IUPAC4-(tert-butylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol
SMILESCC(C)(C)NCCC(C)(O)C1CCc2ccccc2N1
InChIInChI=1S/C17H28N2O/c1-16(2,3)18-12-11-17(4,20)15-10-9-13-7-5-6-8-14(13)19-15/h5-8,15,18-20H,9-12H2,1-4H3
InChIKeyYQVRAOHBUOWWOV-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.94
Rot. Bonds4

About 4-(tert-butylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol

4-(tert-butylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol (PubChem CID 66001867) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-(tert-butylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-(tert-butylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol
PubChem CID66001867
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-(tert-butylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol
SMILESCC(C)(C)NCCC(C)(O)C1CCc2ccccc2N1
InChIInChI=1S/C17H28N2O/c1-16(2,3)18-12-11-17(4,20)15-10-9-13-7-5-6-8-14(13)19-15/h5-8,15,18-20H,9-12H2,1-4H3
InChIKeyYQVRAOHBUOWWOV-UHFFFAOYSA-N
XLogP2.94
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol?
The IUPAC name of 4-(tert-butylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol (CID 66001867) is 4-(tert-butylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol.
What is the SMILES notation for 4-(tert-butylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol?
The canonical SMILES for 4-(tert-butylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol is CC(C)(C)NCCC(C)(O)C1CCc2ccccc2N1.
What is the InChIKey of 4-(tert-butylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol?
The InChIKey is YQVRAOHBUOWWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-16(2,3)18-12-11-17(4,20)15-10-9-13-7-5-6-8-14(13)19-15/h5-8,15,18-20H,9-12H2,1-4H3.
What are the key properties of 4-(tert-butylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol?
4-(tert-butylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol is sourced from PubChem (CID 66001867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).