N-methoxy-2,2-dimethylpropan-1-amine

C6H15NO — CID 82711530

IUPACN-methoxy-2,2-dimethylpropan-1-amine
SMILESCONCC(C)(C)C
InChIInChI=1S/C6H15NO/c1-6(2,3)5-7-8-4/h7H,5H2,1-4H3
InChIKeyHJTWTJGICOYQJA-UHFFFAOYSA-N
MW117.19 g/mol
LogP1.18
Rot. Bonds2

About N-methoxy-2,2-dimethylpropan-1-amine

N-methoxy-2,2-dimethylpropan-1-amine (PubChem CID 82711530) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is N-methoxy-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-methoxy-2,2-dimethylpropan-1-amine
PubChem CID82711530
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC NameN-methoxy-2,2-dimethylpropan-1-amine
SMILESCONCC(C)(C)C
InChIInChI=1S/C6H15NO/c1-6(2,3)5-7-8-4/h7H,5H2,1-4H3
InChIKeyHJTWTJGICOYQJA-UHFFFAOYSA-N
XLogP1.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Propanamine, N-methoxy-
CID 11815284
Butyl(methoxy)amine
CID 12651819
N-(2,2-dimethylpropyl)hydroxylamine
CID 13807993
N-methoxy-2-methylpropan-1-amine
CID 17885866
N-(2,2-dimethylpropyl)hydroxylamine;hydrochloride
CID 13807994
N-methoxybut-2-yn-1-amine
CID 21640113
Methoxy(propyl)amine hydrochloride
CID 22446073
N-(2,2-dimethylpropoxy)ethanamine
CID 54123893
N-(2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine
CID 58200061
N-ethoxy-2,2-dimethylpropan-1-amine
CID 82712179
N-methoxy-2,2-dimethylpropan-1-amine;hydrochloride
CID 87537646
CID 89807696
CID 89807696

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2,2-dimethylpropan-1-amine?
The IUPAC name of N-methoxy-2,2-dimethylpropan-1-amine (CID 82711530) is N-methoxy-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-methoxy-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-methoxy-2,2-dimethylpropan-1-amine is CONCC(C)(C)C.
What is the InChIKey of N-methoxy-2,2-dimethylpropan-1-amine?
The InChIKey is HJTWTJGICOYQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-6(2,3)5-7-8-4/h7H,5H2,1-4H3.
What are the key properties of N-methoxy-2,2-dimethylpropan-1-amine?
N-methoxy-2,2-dimethylpropan-1-amine has a molecular weight of 117.19 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 82711530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).