methane;N,N,3-trimethylpentan-1-amine oxide

C10H27NO — CID 157348298

IUPACmethane;N,N,3-trimethylpentan-1-amine oxide
SMILESC.C.CCC(C)CC[N+](C)(C)[O-]
InChIInChI=1S/C8H19NO.2CH4/c1-5-8(2)6-7-9(3,4)10;;/h8H,5-7H2,1-4H3;2*1H4
InChIKeyBHFRFQGBPFGUNM-UHFFFAOYSA-N
MW177.33 g/mol
LogP3.27
Rot. Bonds4

About methane;N,N,3-trimethylpentan-1-amine oxide

methane;N,N,3-trimethylpentan-1-amine oxide (PubChem CID 157348298) has the molecular formula C10H27NO and a molecular weight of 177.33 g/mol. Its IUPAC name is methane;N,N,3-trimethylpentan-1-amine oxide.

Molecular Properties

Compound Namemethane;N,N,3-trimethylpentan-1-amine oxide
PubChem CID157348298
Molecular FormulaC10H27NO
Molecular Weight177.33 g/mol
Exact Mass177.21
IUPAC Namemethane;N,N,3-trimethylpentan-1-amine oxide
SMILESC.C.CCC(C)CC[N+](C)(C)[O-]
InChIInChI=1S/C8H19NO.2CH4/c1-5-8(2)6-7-9(3,4)10;;/h8H,5-7H2,1-4H3;2*1H4
InChIKeyBHFRFQGBPFGUNM-UHFFFAOYSA-N
XLogP3.27
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl(7-methylnonyl)azanium
CID 54435403
(3R,7R)-3,7-dimethylnonane
CID 42626759
N,N,4,8,12-pentamethyltridecan-1-amine oxide
CID 58133406
N,N,16-trimethylheptadecan-1-amine oxide
CID 23129549
methane;3-methylpentane
CID 153359275
methane;3-methylpentane
CID 157218592
3-methylheptane;triethyl(methyl)azanium
CID 155339140
methane;3-methyltridecane
CID 161019087
dihexyl-methyl-(6-methyloctyl)azanium chloride
CID 175281709
methane;trimethyl(2-methylbutyl)azanium
CID 162147033
3-methylheptane;nickel
CID 158967838
1-hexadecan-2-yloxy-N,N,N',N'-tetramethylpropane-1,3-diamine oxide
CID 121468698

Frequently Asked Questions

What is the IUPAC name of methane;N,N,3-trimethylpentan-1-amine oxide?
The IUPAC name of methane;N,N,3-trimethylpentan-1-amine oxide (CID 157348298) is methane;N,N,3-trimethylpentan-1-amine oxide.
What is the SMILES notation for methane;N,N,3-trimethylpentan-1-amine oxide?
The canonical SMILES for methane;N,N,3-trimethylpentan-1-amine oxide is C.C.CCC(C)CC[N+](C)(C)[O-].
What is the InChIKey of methane;N,N,3-trimethylpentan-1-amine oxide?
The InChIKey is BHFRFQGBPFGUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO.2CH4/c1-5-8(2)6-7-9(3,4)10;;/h8H,5-7H2,1-4H3;2*1H4.
What are the key properties of methane;N,N,3-trimethylpentan-1-amine oxide?
methane;N,N,3-trimethylpentan-1-amine oxide has a molecular weight of 177.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N,N,3-trimethylpentan-1-amine oxide is sourced from PubChem (CID 157348298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).