3,3-dimethylheptyl(methyl)azanium

C10H24N+ — CID 144987643

IUPAC3,3-dimethylheptyl(methyl)azanium
SMILESCCCCC(C)(C)CC[NH2+]C
InChIInChI=1S/C10H23N/c1-5-6-7-10(2,3)8-9-11-4/h11H,5-9H2,1-4H3/p+1
InChIKeyZIDRNQZQPXPMFD-UHFFFAOYSA-O
MW158.31 g/mol
LogP1.79
Rot. Bonds6

About 3,3-dimethylheptyl(methyl)azanium

3,3-dimethylheptyl(methyl)azanium (PubChem CID 144987643) has the molecular formula C10H24N+ and a molecular weight of 158.31 g/mol. Its IUPAC name is 3,3-dimethylheptyl(methyl)azanium.

Molecular Properties

Compound Name3,3-dimethylheptyl(methyl)azanium
PubChem CID144987643
Molecular FormulaC10H24N+
Molecular Weight158.31 g/mol
Exact Mass158.19
IUPAC Name3,3-dimethylheptyl(methyl)azanium
SMILESCCCCC(C)(C)CC[NH2+]C
InChIInChI=1S/C10H23N/c1-5-6-7-10(2,3)8-9-11-4/h11H,5-9H2,1-4H3/p+1
InChIKeyZIDRNQZQPXPMFD-UHFFFAOYSA-O
XLogP1.79
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

5,5-dimethylnonane;bis(2-methylpropan-2-amine)
CID 159841481
16,16,21,21-tetramethylhexatriacontane
CID 174880889
2,2-dimethylhexane
CID 169424592
azane;2,2-dimethylhexane
CID 161105081
2,2,7,7-tetramethyldecane
CID 57491596
5,5-dimethylnonane;5-methylnonane
CID 158755954
ethane;1-methoxy-3,3-dimethylheptane
CID 142973962
3-methyl-1-(methylazaniumyl)tridecane-3-sulfonate
CID 141244074
15,15-dimethylnonacosan-10-amine
CID 175397632
3,3-dimethylheptane;ethane-1,2-diol
CID 90284341
dilithium;carbanide;2,2-dimethylhexan-1-olate
CID 135006496
4,4-dimethyltridecan-1-amine
CID 172686024

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylheptyl(methyl)azanium?
The IUPAC name of 3,3-dimethylheptyl(methyl)azanium (CID 144987643) is 3,3-dimethylheptyl(methyl)azanium.
What is the SMILES notation for 3,3-dimethylheptyl(methyl)azanium?
The canonical SMILES for 3,3-dimethylheptyl(methyl)azanium is CCCCC(C)(C)CC[NH2+]C.
What is the InChIKey of 3,3-dimethylheptyl(methyl)azanium?
The InChIKey is ZIDRNQZQPXPMFD-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H23N/c1-5-6-7-10(2,3)8-9-11-4/h11H,5-9H2,1-4H3/p+1.
What are the key properties of 3,3-dimethylheptyl(methyl)azanium?
3,3-dimethylheptyl(methyl)azanium has a molecular weight of 158.31 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylheptyl(methyl)azanium is sourced from PubChem (CID 144987643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).