1-[(2-hydroxy-2-methylpentyl)amino]-2-methylpentan-2-ol

C12H27NO2 — CID 5122784

IUPAC1-[(2-hydroxy-2-methylpentyl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCC(C)(O)CCC
InChIInChI=1S/C12H27NO2/c1-5-7-11(3,14)9-13-10-12(4,15)8-6-2/h13-15H,5-10H2,1-4H3
InChIKeyBPDRKWSLLFOOON-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.68
Rot. Bonds8

About 1-[(2-hydroxy-2-methylpentyl)amino]-2-methylpentan-2-ol

1-[(2-hydroxy-2-methylpentyl)amino]-2-methylpentan-2-ol (PubChem CID 5122784) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-[(2-hydroxy-2-methylpentyl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(2-hydroxy-2-methylpentyl)amino]-2-methylpentan-2-ol
PubChem CID5122784
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-[(2-hydroxy-2-methylpentyl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCC(C)(O)CCC
InChIInChI=1S/C12H27NO2/c1-5-7-11(3,14)9-13-10-12(4,15)8-6-2/h13-15H,5-10H2,1-4H3
InChIKeyBPDRKWSLLFOOON-UHFFFAOYSA-N
XLogP1.68
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-Diethylamino-2-methylpentan-2-ol
CID 12260475
3,3-Difluoro-2,4-dimethyl-1-(methylamino)pentan-2-ol
CID 156547546
2-Methyl-1-(methylamino)pentan-2-ol
CID 15892888
5,5,5-Trifluoro-2-methyl-1-(propylamino)pentan-2-ol
CID 66037473
1-(Ethylamino)-5,5,5-trifluoro-2-methylpentan-2-ol
CID 66037935
5,5,5-Trifluoro-2-methyl-1-(2-methylpropylamino)pentan-2-ol
CID 66039667
2,4-Dimethyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 66171657
1-(2,2-Difluoroethylamino)-2,4-dimethylpentan-2-ol
CID 66174062
2,4-Dimethyl-1-(2,2,2-trifluoroethylamino)pentan-2-ol
CID 66174463
1-(2-Fluoroethylamino)-2,4-dimethylpentan-2-ol
CID 80694211
1-(3-Fluoropropylamino)-2,4-dimethylpentan-2-ol
CID 81105415
1-(2-Fluoroethylamino)-2-methylpentan-2-ol
CID 106292363

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-2-methylpentyl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(2-hydroxy-2-methylpentyl)amino]-2-methylpentan-2-ol (CID 5122784) is 1-[(2-hydroxy-2-methylpentyl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(2-hydroxy-2-methylpentyl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(2-hydroxy-2-methylpentyl)amino]-2-methylpentan-2-ol is CCCC(C)(O)CNCC(C)(O)CCC.
What is the InChIKey of 1-[(2-hydroxy-2-methylpentyl)amino]-2-methylpentan-2-ol?
The InChIKey is BPDRKWSLLFOOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-5-7-11(3,14)9-13-10-12(4,15)8-6-2/h13-15H,5-10H2,1-4H3.
What are the key properties of 1-[(2-hydroxy-2-methylpentyl)amino]-2-methylpentan-2-ol?
1-[(2-hydroxy-2-methylpentyl)amino]-2-methylpentan-2-ol has a molecular weight of 217.35 g/mol, XLogP of 1.68, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-2-methylpentyl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 5122784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).