4-[methyl(2-methylpropyl)amino]oxy-N-(2-methylpropyl)butan-1-amine

C13H30N2O — CID 166023894

IUPAC4-[methyl(2-methylpropyl)amino]oxy-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCON(C)CC(C)C
InChIInChI=1S/C13H30N2O/c1-12(2)10-14-8-6-7-9-16-15(5)11-13(3)4/h12-14H,6-11H2,1-5H3
InChIKeyUXPLYBJOQLXJRU-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.53
Rot. Bonds10

About 4-[methyl(2-methylpropyl)amino]oxy-N-(2-methylpropyl)butan-1-amine

4-[methyl(2-methylpropyl)amino]oxy-N-(2-methylpropyl)butan-1-amine (PubChem CID 166023894) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 4-[methyl(2-methylpropyl)amino]oxy-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-[methyl(2-methylpropyl)amino]oxy-N-(2-methylpropyl)butan-1-amine
PubChem CID166023894
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name4-[methyl(2-methylpropyl)amino]oxy-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCON(C)CC(C)C
InChIInChI=1S/C13H30N2O/c1-12(2)10-14-8-6-7-9-16-15(5)11-13(3)4/h12-14H,6-11H2,1-5H3
InChIKeyUXPLYBJOQLXJRU-UHFFFAOYSA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-butoxybutyl)-2-methylbutane-1,4-diamine
CID 19938805
N-methyl-4-(methylaminooxy)butan-1-amine
CID 57579189
N-(4-methoxybutyl)-3-methylbutan-1-amine
CID 61814522
N,N-dimethyl-4-(propylaminooxy)butan-1-amine
CID 90971318
N'-(4-butoxybutyl)-2-methylbutane-1,4-diamine
CID 140371479
ethane;N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 143333784
N-[4-(butylamino)butoxy]pentan-1-amine
CID 150066293
Dibutyl(ethoxy)azanium
CID 151968749
N-[4-(2-methylpropylamino)butoxy]hexan-1-amine
CID 155249279
(3R)-4-methoxy-3-methyl-N-[(2R)-2-methylbutyl]butan-1-amine
CID 163984631
2-Oxido-1-oxa-7-aza-2-azoniacycloundecane
CID 164005071
Butoxy-bis(2-methylpropyl)azanium
CID 173372866

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-methylpropyl)amino]oxy-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-[methyl(2-methylpropyl)amino]oxy-N-(2-methylpropyl)butan-1-amine (CID 166023894) is 4-[methyl(2-methylpropyl)amino]oxy-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-[methyl(2-methylpropyl)amino]oxy-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-[methyl(2-methylpropyl)amino]oxy-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCCCON(C)CC(C)C.
What is the InChIKey of 4-[methyl(2-methylpropyl)amino]oxy-N-(2-methylpropyl)butan-1-amine?
The InChIKey is UXPLYBJOQLXJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-12(2)10-14-8-6-7-9-16-15(5)11-13(3)4/h12-14H,6-11H2,1-5H3.
What are the key properties of 4-[methyl(2-methylpropyl)amino]oxy-N-(2-methylpropyl)butan-1-amine?
4-[methyl(2-methylpropyl)amino]oxy-N-(2-methylpropyl)butan-1-amine has a molecular weight of 230.40 g/mol, XLogP of 2.53, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-methylpropyl)amino]oxy-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 166023894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).