3-methylheptane;triethyl(methyl)azanium

C15H36N+ — CID 155339140

IUPAC3-methylheptane;triethyl(methyl)azanium
SMILESCCCCC(C)CC.CC[N+](C)(CC)CC
InChIInChI=1S/C8H18.C7H18N/c1-4-6-7-8(3)5-2;1-5-8(4,6-2)7-3/h8H,4-7H2,1-3H3;5-7H2,1-4H3/q;+1
InChIKeyFMELRAVBSBZLSE-UHFFFAOYSA-N
MW230.46 g/mol
LogP4.72
Rot. Bonds7

About 3-methylheptane;triethyl(methyl)azanium

3-methylheptane;triethyl(methyl)azanium (PubChem CID 155339140) has the molecular formula C15H36N+ and a molecular weight of 230.46 g/mol. Its IUPAC name is 3-methylheptane;triethyl(methyl)azanium.

Molecular Properties

Compound Name3-methylheptane;triethyl(methyl)azanium
PubChem CID155339140
Molecular FormulaC15H36N+
Molecular Weight230.46 g/mol
Exact Mass230.28
IUPAC Name3-methylheptane;triethyl(methyl)azanium
SMILESCCCCC(C)CC.CC[N+](C)(CC)CC
InChIInChI=1S/C8H18.C7H18N/c1-4-6-7-8(3)5-2;1-5-8(4,6-2)7-3/h8H,4-7H2,1-3H3;5-7H2,1-4H3/q;+1
InChIKeyFMELRAVBSBZLSE-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.46
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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calcium;hydride;3-methylheptane
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3,11-dimethylpentadecane
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N,N-dimethylmethanamine;3-methylheptane
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3-methylheptane;oxotitanium
CID 174602327
(Z)-but-2-ene;3-methylheptane
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3-methylheptane;2-methylpentane
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3-methylheptane;sulfane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173302962
dihexyl-methyl-(6-methyloctyl)azanium chloride
CID 175281709
(3R)-3-methylhexacosane
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Frequently Asked Questions

What is the IUPAC name of 3-methylheptane;triethyl(methyl)azanium?
The IUPAC name of 3-methylheptane;triethyl(methyl)azanium (CID 155339140) is 3-methylheptane;triethyl(methyl)azanium.
What is the SMILES notation for 3-methylheptane;triethyl(methyl)azanium?
The canonical SMILES for 3-methylheptane;triethyl(methyl)azanium is CCCCC(C)CC.CC[N+](C)(CC)CC.
What is the InChIKey of 3-methylheptane;triethyl(methyl)azanium?
The InChIKey is FMELRAVBSBZLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C7H18N/c1-4-6-7-8(3)5-2;1-5-8(4,6-2)7-3/h8H,4-7H2,1-3H3;5-7H2,1-4H3/q;+1.
What are the key properties of 3-methylheptane;triethyl(methyl)azanium?
3-methylheptane;triethyl(methyl)azanium has a molecular weight of 230.46 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylheptane;triethyl(methyl)azanium is sourced from PubChem (CID 155339140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).