3,4-dimethylpentyl(trimethyl)azanium

C10H24N+ — CID 175623518

IUPAC3,4-dimethylpentyl(trimethyl)azanium
SMILESCC(C)C(C)CC[N+](C)(C)C
InChIInChI=1S/C10H24N/c1-9(2)10(3)7-8-11(4,5)6/h9-10H,7-8H2,1-6H3/q+1
InChIKeyVEKLWSUHAGCXBN-UHFFFAOYSA-N
MW158.31 g/mol
LogP2.37
Rot. Bonds4

About 3,4-dimethylpentyl(trimethyl)azanium

3,4-dimethylpentyl(trimethyl)azanium (PubChem CID 175623518) has the molecular formula C10H24N+ and a molecular weight of 158.31 g/mol. Its IUPAC name is 3,4-dimethylpentyl(trimethyl)azanium.

Molecular Properties

Compound Name3,4-dimethylpentyl(trimethyl)azanium
PubChem CID175623518
Molecular FormulaC10H24N+
Molecular Weight158.31 g/mol
Exact Mass158.19
IUPAC Name3,4-dimethylpentyl(trimethyl)azanium
SMILESCC(C)C(C)CC[N+](C)(C)C
InChIInChI=1S/C10H24N/c1-9(2)10(3)7-8-11(4,5)6/h9-10H,7-8H2,1-6H3/q+1
InChIKeyVEKLWSUHAGCXBN-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 52.37
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

3-hydroxybutyl(trimethyl)azanium hydroxide
CID 22731873
trimethyl(3,3,6,7,8-pentamethylnonyl)azanium
CID 123600184
(3S,7R)-2,3,7,8-tetramethylnonane
CID 153439349
trimethyl-[4-methyl-3-(sulfanylmethyl)hexyl]azanium
CID 91488198
3,3-dihydroxypropyl(trimethyl)azanium bromide
CID 174814493
[(3S)-3-chloro-3-hydroxypropyl]-trimethylazanium
CID 88657543
trimethyl(4-methylpentyl)azanium chloride
CID 86159928
3,4-dimethylpentane-1-thiol
CID 87431399
trimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide
CID 71381310
1,1-difluoro-4,5-dimethylhexane
CID 137419857
3-bromopentyl(trimethyl)azanium bromide
CID 22252045
2,3-dimethylheptane;ethane
CID 156648444

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpentyl(trimethyl)azanium?
The IUPAC name of 3,4-dimethylpentyl(trimethyl)azanium (CID 175623518) is 3,4-dimethylpentyl(trimethyl)azanium.
What is the SMILES notation for 3,4-dimethylpentyl(trimethyl)azanium?
The canonical SMILES for 3,4-dimethylpentyl(trimethyl)azanium is CC(C)C(C)CC[N+](C)(C)C.
What is the InChIKey of 3,4-dimethylpentyl(trimethyl)azanium?
The InChIKey is VEKLWSUHAGCXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N/c1-9(2)10(3)7-8-11(4,5)6/h9-10H,7-8H2,1-6H3/q+1.
What are the key properties of 3,4-dimethylpentyl(trimethyl)azanium?
3,4-dimethylpentyl(trimethyl)azanium has a molecular weight of 158.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpentyl(trimethyl)azanium is sourced from PubChem (CID 175623518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).