[(2S)-heptan-2-yl]azanium

C7H18N+ — CID 6999049

IUPAC[(2S)-heptan-2-yl]azanium
SMILESCCCCC[C@H](C)[NH3+]
InChIInChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3/p+1/t7-/m0/s1
InChIKeyVSRBKQFNFZQRBM-ZETCQYMHSA-O
MW116.23 g/mol
LogP1.20
Rot. Bonds4

About [(2S)-heptan-2-yl]azanium

[(2S)-heptan-2-yl]azanium (PubChem CID 6999049) has the molecular formula C7H18N+ and a molecular weight of 116.23 g/mol. Its IUPAC name is [(2S)-heptan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-heptan-2-yl]azanium
PubChem CID6999049
Molecular FormulaC7H18N+
Molecular Weight116.23 g/mol
Exact Mass116.14
IUPAC Name[(2S)-heptan-2-yl]azanium
SMILESCCCCC[C@H](C)[NH3+]
InChIInChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3/p+1/t7-/m0/s1
InChIKeyVSRBKQFNFZQRBM-ZETCQYMHSA-O
XLogP1.20
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

heptatriacontan-19-ylazanium
CID 22345110
henicosan-11-ylazanium
CID 22645794
ethyl sulfate;hexadecan-2-ylazanium
CID 18691740
11,12-dimethyltricosane
CID 173430605
6-methyloctacosane
CID 22223942
2-methylpentaoctacontane
CID 90745672
6-methylheptacosane
CID 22223776
bis(2-methylheptane);propane
CID 158714851
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
2-methyldecane
CID 23415
15-methylhexatriacontane
CID 86002594

Frequently Asked Questions

What is the IUPAC name of [(2S)-heptan-2-yl]azanium?
The IUPAC name of [(2S)-heptan-2-yl]azanium (CID 6999049) is [(2S)-heptan-2-yl]azanium.
What is the SMILES notation for [(2S)-heptan-2-yl]azanium?
The canonical SMILES for [(2S)-heptan-2-yl]azanium is CCCCC[C@H](C)[NH3+].
What is the InChIKey of [(2S)-heptan-2-yl]azanium?
The InChIKey is VSRBKQFNFZQRBM-ZETCQYMHSA-O. The full InChI is InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3/p+1/t7-/m0/s1.
What are the key properties of [(2S)-heptan-2-yl]azanium?
[(2S)-heptan-2-yl]azanium has a molecular weight of 116.23 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-heptan-2-yl]azanium is sourced from PubChem (CID 6999049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).