1-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methylbutan-2-ol

C11H23NO3 — CID 106659034

IUPAC1-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNC1COC(C)(C)OC1
InChIInChI=1S/C11H23NO3/c1-8(2)10(13)5-12-9-6-14-11(3,4)15-7-9/h8-10,12-13H,5-7H2,1-4H3
InChIKeyILIDAWDHAGHWQY-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.74
Rot. Bonds4

About 1-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methylbutan-2-ol

1-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methylbutan-2-ol (PubChem CID 106659034) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methylbutan-2-ol
PubChem CID106659034
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name1-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNC1COC(C)(C)OC1
InChIInChI=1S/C11H23NO3/c1-8(2)10(13)5-12-9-6-14-11(3,4)15-7-9/h8-10,12-13H,5-7H2,1-4H3
InChIKeyILIDAWDHAGHWQY-UHFFFAOYSA-N
XLogP0.74
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658931
2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine
CID 114132443
2,2-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxan-5-amine
CID 106658667
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide
CID 106658087
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-4-methylpentan-1-ol
CID 106348831
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propanoic acid
CID 106658180
1-(oxetan-3-ylamino)propan-2-ol
CID 63624382
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide
CID 106658128
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-2-ol
CID 115720450
2,2-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-1,3-dioxan-5-amine
CID 106658862
N'-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 106658079
3-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-2-ol
CID 115689315

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methylbutan-2-ol?
The IUPAC name of 1-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methylbutan-2-ol (CID 106659034) is 1-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methylbutan-2-ol is CC(C)C(O)CNC1COC(C)(C)OC1.
What is the InChIKey of 1-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methylbutan-2-ol?
The InChIKey is ILIDAWDHAGHWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-8(2)10(13)5-12-9-6-14-11(3,4)15-7-9/h8-10,12-13H,5-7H2,1-4H3.
What are the key properties of 1-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methylbutan-2-ol?
1-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methylbutan-2-ol has a molecular weight of 217.31 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methylbutan-2-ol is sourced from PubChem (CID 106659034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).