N-butoxy-N-methylmethanamine

C6H15NO — CID 19988586

IUPACN-butoxy-N-methylmethanamine
SMILESCCCCON(C)C
InChIInChI=1S/C6H15NO/c1-4-5-6-8-7(2)3/h4-6H2,1-3H3
InChIKeyLKUJAEREKQQGSO-UHFFFAOYSA-N
MW117.19 g/mol
LogP1.28
Rot. Bonds4

About N-butoxy-N-methylmethanamine

N-butoxy-N-methylmethanamine (PubChem CID 19988586) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is N-butoxy-N-methylmethanamine.

Molecular Properties

Compound NameN-butoxy-N-methylmethanamine
PubChem CID19988586
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC NameN-butoxy-N-methylmethanamine
SMILESCCCCON(C)C
InChIInChI=1S/C6H15NO/c1-4-5-6-8-7(2)3/h4-6H2,1-3H3
InChIKeyLKUJAEREKQQGSO-UHFFFAOYSA-N
XLogP1.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 51.28
H-Bond Donors ≤ 50
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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Related Compounds

N-butoxy-N-propylhydroxylamine
CID 88795262
N-butoxy-N,2-dimethylpropan-1-amine
CID 166738532
1-butylperoxybutane;hydrogen peroxide
CID 162033267
2-N,2-N,4-N,4-N,6-N,6-N-hexabutoxy-1,3,5-triazine-2,4,6-triamine
CID 22138288
1-butylperoxybutane
CID 159275797
cadmium;bis(1-hydroperoxybutane)
CID 134995939
hafnium;1-hydroperoxybutane
CID 159843277
N-butoxy-N-propan-2-ylpropan-1-amine
CID 151187907
N,N-dimethylmethanamine;1-hydroperoxydodecane
CID 174656380
N-dibutoxysilyl-N-methylmethanamine
CID 150941363
4-[butyl(4-hydroxybutoxy)amino]oxybutan-1-ol
CID 87183048
2-butoxy-2-(dimethylamino)ethanol
CID 170554858

Frequently Asked Questions

What is the IUPAC name of N-butoxy-N-methylmethanamine?
The IUPAC name of N-butoxy-N-methylmethanamine (CID 19988586) is N-butoxy-N-methylmethanamine.
What is the SMILES notation for N-butoxy-N-methylmethanamine?
The canonical SMILES for N-butoxy-N-methylmethanamine is CCCCON(C)C.
What is the InChIKey of N-butoxy-N-methylmethanamine?
The InChIKey is LKUJAEREKQQGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-4-5-6-8-7(2)3/h4-6H2,1-3H3.
What are the key properties of N-butoxy-N-methylmethanamine?
N-butoxy-N-methylmethanamine has a molecular weight of 117.19 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butoxy-N-methylmethanamine is sourced from PubChem (CID 19988586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).