methyl(2-methylpropyl)azanium

C5H14N+ — CID 6999723

IUPACmethyl(2-methylpropyl)azanium
SMILESC[NH2+]CC(C)C
InChIInChI=1S/C5H13N/c1-5(2)4-6-3/h5-6H,4H2,1-3H3/p+1
InChIKeyQKYWADPCTHTJHQ-UHFFFAOYSA-O
MW88.17 g/mol
LogP-0.16
Rot. Bonds2

About methyl(2-methylpropyl)azanium

methyl(2-methylpropyl)azanium (PubChem CID 6999723) has the molecular formula C5H14N+ and a molecular weight of 88.17 g/mol. Its IUPAC name is methyl(2-methylpropyl)azanium.

Molecular Properties

Compound Namemethyl(2-methylpropyl)azanium
PubChem CID6999723
Molecular FormulaC5H14N+
Molecular Weight88.17 g/mol
Exact Mass88.11
IUPAC Namemethyl(2-methylpropyl)azanium
SMILESC[NH2+]CC(C)C
InChIInChI=1S/C5H13N/c1-5(2)4-6-3/h5-6H,4H2,1-3H3/p+1
InChIKeyQKYWADPCTHTJHQ-UHFFFAOYSA-O
XLogP-0.16
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methyl(2-methylpropyl)azanium?
The IUPAC name of methyl(2-methylpropyl)azanium (CID 6999723) is methyl(2-methylpropyl)azanium.
What is the SMILES notation for methyl(2-methylpropyl)azanium?
The canonical SMILES for methyl(2-methylpropyl)azanium is C[NH2+]CC(C)C.
What is the InChIKey of methyl(2-methylpropyl)azanium?
The InChIKey is QKYWADPCTHTJHQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13N/c1-5(2)4-6-3/h5-6H,4H2,1-3H3/p+1.
What are the key properties of methyl(2-methylpropyl)azanium?
methyl(2-methylpropyl)azanium has a molecular weight of 88.17 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(2-methylpropyl)azanium is sourced from PubChem (CID 6999723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).