4-[(2,6-dimethyloxan-4-yl)amino]butan-2-ol

C11H23NO2 — CID 75525282

IUPAC4-[(2,6-dimethyloxan-4-yl)amino]butan-2-ol
SMILESCC(O)CCNC1CC(C)OC(C)C1
InChIInChI=1S/C11H23NO2/c1-8(13)4-5-12-11-6-9(2)14-10(3)7-11/h8-13H,4-7H2,1-3H3
InChIKeyWDHKKXMPXDJQDH-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.30
Rot. Bonds4

About 4-[(2,6-dimethyloxan-4-yl)amino]butan-2-ol

4-[(2,6-dimethyloxan-4-yl)amino]butan-2-ol (PubChem CID 75525282) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-[(2,6-dimethyloxan-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(2,6-dimethyloxan-4-yl)amino]butan-2-ol
PubChem CID75525282
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-[(2,6-dimethyloxan-4-yl)amino]butan-2-ol
SMILESCC(O)CCNC1CC(C)OC(C)C1
InChIInChI=1S/C11H23NO2/c1-8(13)4-5-12-11-6-9(2)14-10(3)7-11/h8-13H,4-7H2,1-3H3
InChIKeyWDHKKXMPXDJQDH-UHFFFAOYSA-N
XLogP1.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,6-dimethyloxan-4-yl)amino]pentan-2-ol
CID 107267685
(2R)-4-[[(3S,5S)-3,5-dimethylcyclohexyl]amino]butan-2-ol
CID 96784232
(2R)-4-[[(1S,3S)-3-methylcyclopentyl]amino]butan-2-ol
CID 96784285
(2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol
CID 124674906
2,6-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]oxan-4-amine
CID 115908663
4-[(3-ethoxycyclobutyl)amino]butan-2-ol
CID 112554620
5-[(2,6-dimethyloxan-4-yl)amino]pentanamide
CID 106234819
N-(3,3-dimethylbutyl)-2,6-dimethyloxan-4-amine
CID 115904659
4-[(4,4-dimethylcyclohexyl)amino]butan-2-ol
CID 64913852
5-[(2,6-dimethyloxan-4-yl)amino]pentanenitrile
CID 115906976
4-[(3-ethylcyclohexyl)amino]butan-2-ol
CID 64910708
N-[2-(2,2-difluoroethoxy)ethyl]-2,6-dimethyloxan-4-amine
CID 103080937

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethyloxan-4-yl)amino]butan-2-ol?
The IUPAC name of 4-[(2,6-dimethyloxan-4-yl)amino]butan-2-ol (CID 75525282) is 4-[(2,6-dimethyloxan-4-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[(2,6-dimethyloxan-4-yl)amino]butan-2-ol?
The canonical SMILES for 4-[(2,6-dimethyloxan-4-yl)amino]butan-2-ol is CC(O)CCNC1CC(C)OC(C)C1.
What is the InChIKey of 4-[(2,6-dimethyloxan-4-yl)amino]butan-2-ol?
The InChIKey is WDHKKXMPXDJQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(13)4-5-12-11-6-9(2)14-10(3)7-11/h8-13H,4-7H2,1-3H3.
What are the key properties of 4-[(2,6-dimethyloxan-4-yl)amino]butan-2-ol?
4-[(2,6-dimethyloxan-4-yl)amino]butan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethyloxan-4-yl)amino]butan-2-ol is sourced from PubChem (CID 75525282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).