di(propan-2-yl)azanium

C6H16N+ — CID 4667801

IUPACdi(propan-2-yl)azanium
SMILESCC(C)[NH2+]C(C)C
InChIInChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3/p+1
InChIKeyUAOMVDZJSHZZME-UHFFFAOYSA-O
MW102.20 g/mol
LogP0.37
Rot. Bonds2

About di(propan-2-yl)azanium

di(propan-2-yl)azanium (PubChem CID 4667801) has the molecular formula C6H16N+ and a molecular weight of 102.20 g/mol. Its IUPAC name is di(propan-2-yl)azanium.

Molecular Properties

Compound Namedi(propan-2-yl)azanium
PubChem CID4667801
Molecular FormulaC6H16N+
Molecular Weight102.20 g/mol
Exact Mass102.13
IUPAC Namedi(propan-2-yl)azanium
SMILESCC(C)[NH2+]C(C)C
InChIInChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3/p+1
InChIKeyUAOMVDZJSHZZME-UHFFFAOYSA-O
XLogP0.37
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.20
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of di(propan-2-yl)azanium?
The IUPAC name of di(propan-2-yl)azanium (CID 4667801) is di(propan-2-yl)azanium.
What is the SMILES notation for di(propan-2-yl)azanium?
The canonical SMILES for di(propan-2-yl)azanium is CC(C)[NH2+]C(C)C.
What is the InChIKey of di(propan-2-yl)azanium?
The InChIKey is UAOMVDZJSHZZME-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3/p+1.
What are the key properties of di(propan-2-yl)azanium?
di(propan-2-yl)azanium has a molecular weight of 102.20 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yl)azanium is sourced from PubChem (CID 4667801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).