N-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine

C11H25NO3 — CID 106675441

IUPACN-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(OC)C(C)NCCC(C)(C)OC
InChIInChI=1S/C11H25NO3/c1-9(10(13-4)14-5)12-8-7-11(2,3)15-6/h9-10,12H,7-8H2,1-6H3
InChIKeyFOOKQGCNPCZYKU-UHFFFAOYSA-N
MW219.32 g/mol
LogP1.40
Rot. Bonds8

About N-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine

N-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine (PubChem CID 106675441) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is N-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
PubChem CID106675441
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC NameN-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(OC)C(C)NCCC(C)(C)OC
InChIInChI=1S/C11H25NO3/c1-9(10(13-4)14-5)12-8-7-11(2,3)15-6/h9-10,12H,7-8H2,1-6H3
InChIKeyFOOKQGCNPCZYKU-UHFFFAOYSA-N
XLogP1.40
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate
CID 103033239
2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol
CID 103019922
2-N-(3-methoxy-3-methylbutyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103019955
2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol
CID 103033211
N-(1-ethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
CID 103033262
5-chloro-N-(3-methoxy-3-methylbutyl)pentan-2-amine
CID 103037206
N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine
CID 115712795
N-(1,1-dimethoxypropan-2-yl)-2,3,3-trimethylbutan-1-amine
CID 83142750
N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine
CID 103034557
N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine
CID 102977935
3-methoxy-3-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine
CID 103033623
5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol
CID 106158376

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of N-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine (CID 106675441) is N-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for N-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for N-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine is COC(OC)C(C)NCCC(C)(C)OC.
What is the InChIKey of N-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine?
The InChIKey is FOOKQGCNPCZYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-9(10(13-4)14-5)12-8-7-11(2,3)15-6/h9-10,12H,7-8H2,1-6H3.
What are the key properties of N-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine?
N-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine has a molecular weight of 219.32 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 106675441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).