1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine

C10H23NO — CID 64537370

IUPAC1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine
SMILESCC(C)(C)CCOCC(C)(C)N
InChIInChI=1S/C10H23NO/c1-9(2,3)6-7-12-8-10(4,5)11/h6-8,11H2,1-5H3
InChIKeyMMNUHPOYHSQCEB-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.18
Rot. Bonds4

About 1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine

1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine (PubChem CID 64537370) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine
PubChem CID64537370
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine
SMILESCC(C)(C)CCOCC(C)(C)N
InChIInChI=1S/C10H23NO/c1-9(2,3)6-7-12-8-10(4,5)11/h6-8,11H2,1-5H3
InChIKeyMMNUHPOYHSQCEB-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 153439578
1-(3-methoxy-3-methylbutoxy)-2-methylpropan-2-amine
CID 103034474
1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 131972620
1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane
CID 176614157
methyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate
CID 66226341
2-methyl-1-[2-(2,4,4-trimethylpentan-2-yloxy)ethoxy]propan-2-amine
CID 139380192
1-(3-bromo-2,2-dimethylpropoxy)-3,3-dimethylbutane
CID 66234059
2-methyl-1-(3-methylbutoxy)propan-2-amine
CID 64537569
1-(4-methoxybutoxy)-2-methylpropan-2-amine
CID 104648280
2-methyl-1-nonoxypropan-2-amine
CID 64536580
1-[2-[2-(3,3-dimethylbutoxy)ethyldisulfanyl]ethoxy]-3,3-dimethylbutane
CID 89088129
1-[2-(2-fluoroethoxy)ethoxy]-3,3-dimethylbutane
CID 58160227

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine?
The IUPAC name of 1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine (CID 64537370) is 1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine is CC(C)(C)CCOCC(C)(C)N.
What is the InChIKey of 1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine?
The InChIKey is MMNUHPOYHSQCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-9(2,3)6-7-12-8-10(4,5)11/h6-8,11H2,1-5H3.
What are the key properties of 1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine?
1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine has a molecular weight of 173.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine is sourced from PubChem (CID 64537370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).