2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol

C12H25NO2 — CID 66180282

IUPAC2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CCOCC1
InChIInChI=1S/C12H25NO2/c1-10(2)8-12(3,14)9-13-11-4-6-15-7-5-11/h10-11,13-14H,4-9H2,1-3H3
InChIKeyNGYGJDDWFYGUAT-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds5

About 2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol

2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol (PubChem CID 66180282) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol
PubChem CID66180282
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CCOCC1
InChIInChI=1S/C12H25NO2/c1-10(2)8-12(3,14)9-13-11-4-6-15-7-5-11/h10-11,13-14H,4-9H2,1-3H3
InChIKeyNGYGJDDWFYGUAT-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,4-dimethylpentan-2-ol
CID 66178779
2,4-dimethyl-1-(spiro[4.5]decan-8-ylamino)pentan-2-ol
CID 114817743
N-(2,2,3-trimethylbutyl)oxepan-4-amine
CID 102613607
1-[(3-ethylcyclopentyl)amino]-2,4-dimethylpentan-2-ol
CID 66179546
2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol
CID 66178563
2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid
CID 79624339
2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol
CID 66178990
N-(2-methylpropyl)oxan-4-amine;molecular hydrogen
CID 156813143
N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine
CID 115664541
2,4-dimethyl-1-[(3-phenylcyclobutyl)amino]pentan-2-ol
CID 66181051
1-[(2,3-dimethylcyclohexyl)amino]-2,4-dimethylpentan-2-ol
CID 66180147
1-(2-adamantylamino)-2,4-dimethylpentan-2-ol
CID 66179718

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol (CID 66180282) is 2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol is CC(C)CC(C)(O)CNC1CCOCC1.
What is the InChIKey of 2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol?
The InChIKey is NGYGJDDWFYGUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)8-12(3,14)9-13-11-4-6-15-7-5-11/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol?
2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol is sourced from PubChem (CID 66180282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).