N-(1,1-dimethoxypropan-2-yl)-2,3,3-trimethylbutan-1-amine

C12H27NO2 — CID 83142750

IUPACN-(1,1-dimethoxypropan-2-yl)-2,3,3-trimethylbutan-1-amine
SMILESCOC(OC)C(C)NCC(C)C(C)(C)C
InChIInChI=1S/C12H27NO2/c1-9(12(3,4)5)8-13-10(2)11(14-6)15-7/h9-11,13H,8H2,1-7H3
InChIKeyFUELJSSEIXGRBS-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.27
Rot. Bonds6

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

N-(1,1-dimethoxypropan-2-yl)-2,3,3-trimethylbutan-1-amine (PubChem CID 83142750) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N-(1,1-dimethoxypropan-2-yl)-2,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-(1,1-dimethoxypropan-2-yl)-2,3,3-trimethylbutan-1-amine
PubChem CID83142750
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN-(1,1-dimethoxypropan-2-yl)-2,3,3-trimethylbutan-1-amine
SMILESCOC(OC)C(C)NCC(C)C(C)(C)C
InChIInChI=1S/C12H27NO2/c1-9(12(3,4)5)8-13-10(2)11(14-6)15-7/h9-11,13H,8H2,1-7H3
InChIKeyFUELJSSEIXGRBS-UHFFFAOYSA-N
XLogP2.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxypropan-2-yl)-2,3,3-trimethylbutan-1-amine?
The IUPAC name of N-(1,1-dimethoxypropan-2-yl)-2,3,3-trimethylbutan-1-amine (CID 83142750) is N-(1,1-dimethoxypropan-2-yl)-2,3,3-trimethylbutan-1-amine.
What is the SMILES notation for N-(1,1-dimethoxypropan-2-yl)-2,3,3-trimethylbutan-1-amine?
The canonical SMILES for N-(1,1-dimethoxypropan-2-yl)-2,3,3-trimethylbutan-1-amine is COC(OC)C(C)NCC(C)C(C)(C)C.
What is the InChIKey of N-(1,1-dimethoxypropan-2-yl)-2,3,3-trimethylbutan-1-amine?
The InChIKey is FUELJSSEIXGRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-9(12(3,4)5)8-13-10(2)11(14-6)15-7/h9-11,13H,8H2,1-7H3.
What are the key properties of N-(1,1-dimethoxypropan-2-yl)-2,3,3-trimethylbutan-1-amine?
N-(1,1-dimethoxypropan-2-yl)-2,3,3-trimethylbutan-1-amine has a molecular weight of 217.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxypropan-2-yl)-2,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 83142750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).