4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol

C12H25NO2 — CID 115721192

IUPAC4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol
SMILESCC(C)(C)CC(O)CNC1CCCOC1
InChIInChI=1S/C12H25NO2/c1-12(2,3)7-11(14)8-13-10-5-4-6-15-9-10/h10-11,13-14H,4-9H2,1-3H3
InChIKeyYUSPZAGSLFHPBL-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds4

About 4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol

4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol (PubChem CID 115721192) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol
PubChem CID115721192
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol
SMILESCC(C)(C)CC(O)CNC1CCCOC1
InChIInChI=1S/C12H25NO2/c1-12(2,3)7-11(14)8-13-10-5-4-6-15-9-10/h10-11,13-14H,4-9H2,1-3H3
InChIKeyYUSPZAGSLFHPBL-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-(cyclooctylamino)-4,4-dimethylpentan-2-ol
CID 103784422
1-(oxan-3-ylamino)pentan-2-ol
CID 115719380
N-(2,2-dimethylpropyl)oxan-3-amine
CID 63360307
1-[(3-aminocyclohexyl)amino]-4,4-dimethylpentan-2-ol
CID 107151355
(2S)-1-(oxolan-3-ylamino)butan-2-ol
CID 130571979
4,4-dimethyl-1-[(1-methylazepan-4-yl)amino]pentan-2-ol
CID 103859816
2-N,2-N-diethyl-1-N-(oxan-3-yl)propane-1,2-diamine
CID 115708721
4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 91662929
1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol
CID 63363406
1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol
CID 63364012
tert-butyl N-[3-[(2-hydroxy-4,4-dimethylpentyl)amino]cyclohexyl]carbamate
CID 107151492
1-[(3-aminocyclopentyl)amino]-4,4-dimethylpentan-2-ol
CID 107151493

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol (CID 115721192) is 4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol is CC(C)(C)CC(O)CNC1CCCOC1.
What is the InChIKey of 4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol?
The InChIKey is YUSPZAGSLFHPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,3)7-11(14)8-13-10-5-4-6-15-9-10/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol?
4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol is sourced from PubChem (CID 115721192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).