[(2R,4S)-4-methylhexan-2-yl]azanium

C7H18N+ — CID 36688718

IUPAC[(2R,4S)-4-methylhexan-2-yl]azanium
SMILESCC[C@H](C)C[C@@H](C)[NH3+]
InChIInChI=1S/C7H17N/c1-4-6(2)5-7(3)8/h6-7H,4-5,8H2,1-3H3/p+1/t6-,7+/m0/s1
InChIKeyYAHRDLICUYEDAU-NKWVEPMBSA-O
MW116.23 g/mol
LogP1.05
Rot. Bonds3

About [(2R,4S)-4-methylhexan-2-yl]azanium

[(2R,4S)-4-methylhexan-2-yl]azanium (PubChem CID 36688718) has the molecular formula C7H18N+ and a molecular weight of 116.23 g/mol. Its IUPAC name is [(2R,4S)-4-methylhexan-2-yl]azanium.

Molecular Properties

Compound Name[(2R,4S)-4-methylhexan-2-yl]azanium
PubChem CID36688718
Molecular FormulaC7H18N+
Molecular Weight116.23 g/mol
Exact Mass116.14
IUPAC Name[(2R,4S)-4-methylhexan-2-yl]azanium
SMILESCC[C@H](C)C[C@@H](C)[NH3+]
InChIInChI=1S/C7H17N/c1-4-6(2)5-7(3)8/h6-7H,4-5,8H2,1-3H3/p+1/t6-,7+/m0/s1
InChIKeyYAHRDLICUYEDAU-NKWVEPMBSA-O
XLogP1.05
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3,5-dimethylheptane;ethane
CID 172617343
(4S)-2,4-dimethylhexane
CID 22810193
(5S)-3-ethyl-5-methylheptane
CID 59094044
(4R)-2,4-dimethylhexane;methane
CID 157133469
2,4-dimethylhexane;propane
CID 143348383
[(2S)-4-methylpentan-2-yl]azanium
CID 6994057
3,5-dimethylheptane;ethane;methanol;propane
CID 176685880
(2S)-4-methylhexan-2-amine
CID 141201507
2,4,6,8-tetramethyldecane
CID 54224604
4-methylhexane-2-thiol
CID 118408807
3,5,7,10,12-pentamethyltetradecane
CID 59582352
1-fluoro-2,4-dimethylhexane
CID 123953899

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-methylhexan-2-yl]azanium?
The IUPAC name of [(2R,4S)-4-methylhexan-2-yl]azanium (CID 36688718) is [(2R,4S)-4-methylhexan-2-yl]azanium.
What is the SMILES notation for [(2R,4S)-4-methylhexan-2-yl]azanium?
The canonical SMILES for [(2R,4S)-4-methylhexan-2-yl]azanium is CC[C@H](C)C[C@@H](C)[NH3+].
What is the InChIKey of [(2R,4S)-4-methylhexan-2-yl]azanium?
The InChIKey is YAHRDLICUYEDAU-NKWVEPMBSA-O. The full InChI is InChI=1S/C7H17N/c1-4-6(2)5-7(3)8/h6-7H,4-5,8H2,1-3H3/p+1/t6-,7+/m0/s1.
What are the key properties of [(2R,4S)-4-methylhexan-2-yl]azanium?
[(2R,4S)-4-methylhexan-2-yl]azanium has a molecular weight of 116.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-methylhexan-2-yl]azanium is sourced from PubChem (CID 36688718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).