N-methoxy-3-methylbutan-1-amine

C6H15NO — CID 60705867

IUPACN-methoxy-3-methylbutan-1-amine
SMILESCONCCC(C)C
InChIInChI=1S/C6H15NO/c1-6(2)4-5-7-8-3/h6-7H,4-5H2,1-3H3
InChIKeyMNWRQBQXAXXSRS-UHFFFAOYSA-N
MW117.19 g/mol
LogP1.18
Rot. Bonds4

About N-methoxy-3-methylbutan-1-amine

N-methoxy-3-methylbutan-1-amine (PubChem CID 60705867) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is N-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-methoxy-3-methylbutan-1-amine
PubChem CID60705867
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC NameN-methoxy-3-methylbutan-1-amine
SMILESCONCCC(C)C
InChIInChI=1S/C6H15NO/c1-6(2)4-5-7-8-3/h6-7H,4-5H2,1-3H3
InChIKeyMNWRQBQXAXXSRS-UHFFFAOYSA-N
XLogP1.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-3-methylbutan-1-amine?
The IUPAC name of N-methoxy-3-methylbutan-1-amine (CID 60705867) is N-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for N-methoxy-3-methylbutan-1-amine?
The canonical SMILES for N-methoxy-3-methylbutan-1-amine is CONCCC(C)C.
What is the InChIKey of N-methoxy-3-methylbutan-1-amine?
The InChIKey is MNWRQBQXAXXSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-6(2)4-5-7-8-3/h6-7H,4-5H2,1-3H3.
What are the key properties of N-methoxy-3-methylbutan-1-amine?
N-methoxy-3-methylbutan-1-amine has a molecular weight of 117.19 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 60705867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).