N-tert-butyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine

C15H33NO2 — CID 106667762

IUPACN-tert-butyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
SMILESCOC(C)(C)CCOCC(C)(C)CNC(C)(C)C
InChIInChI=1S/C15H33NO2/c1-13(2,3)16-11-14(4,5)12-18-10-9-15(6,7)17-8/h16H,9-12H2,1-8H3
InChIKeyHMDHAUFDSQHJJU-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.23
Rot. Bonds8

About N-tert-butyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine

N-tert-butyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine (PubChem CID 106667762) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is N-tert-butyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
PubChem CID106667762
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC NameN-tert-butyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
SMILESCOC(C)(C)CCOCC(C)(C)CNC(C)(C)C
InChIInChI=1S/C15H33NO2/c1-13(2,3)16-11-14(4,5)12-18-10-9-15(6,7)17-8/h16H,9-12H2,1-8H3
InChIKeyHMDHAUFDSQHJJU-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106667698
N-tert-butyl-2,2-dimethyl-3-(3,3,3-trifluoropropoxy)propan-1-amine
CID 82956991
3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106668062
N-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 103034495
1-(3-methoxy-3-methylbutoxy)-2-methylpropan-2-amine
CID 103034474
N-tert-butyl-2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 79621830
[4-(3-methoxy-3-methylbutoxy)-3,3-dimethylbutyl] methanesulfonate
CID 123615001
3-(3-methoxy-3-methylbutoxy)propan-1-amine
CID 103034470
methyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
CID 106666755
2-hydroxy-3-(3-methoxy-3-methylbutoxy)-2-methylpropanoic acid
CID 106664715
1-(3-methoxy-3-methylbutoxy)-2,3-dimethylbut-2-ene
CID 134299988
N-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine
CID 106668200

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine?
The IUPAC name of N-tert-butyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine (CID 106667762) is N-tert-butyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-tert-butyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine is COC(C)(C)CCOCC(C)(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine?
The InChIKey is HMDHAUFDSQHJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-13(2,3)16-11-14(4,5)12-18-10-9-15(6,7)17-8/h16H,9-12H2,1-8H3.
What are the key properties of N-tert-butyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine?
N-tert-butyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine has a molecular weight of 259.43 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 106667762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).