hexan-3-ylazanium

C6H16N+ — CID 18463188

IUPAChexan-3-ylazanium
SMILESCCCC([NH3+])CC
InChIInChI=1S/C6H15N/c1-3-5-6(7)4-2/h6H,3-5,7H2,1-2H3/p+1
InChIKeyHQLZFBUAULNEGP-UHFFFAOYSA-O
MW102.20 g/mol
LogP0.81
Rot. Bonds3

About hexan-3-ylazanium

hexan-3-ylazanium (PubChem CID 18463188) has the molecular formula C6H16N+ and a molecular weight of 102.20 g/mol. Its IUPAC name is hexan-3-ylazanium.

Molecular Properties

Compound Namehexan-3-ylazanium
PubChem CID18463188
Molecular FormulaC6H16N+
Molecular Weight102.20 g/mol
Exact Mass102.13
IUPAC Namehexan-3-ylazanium
SMILESCCCC([NH3+])CC
InChIInChI=1S/C6H15N/c1-3-5-6(7)4-2/h6H,3-5,7H2,1-2H3/p+1
InChIKeyHQLZFBUAULNEGP-UHFFFAOYSA-O
XLogP0.81
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of hexan-3-ylazanium?
The IUPAC name of hexan-3-ylazanium (CID 18463188) is hexan-3-ylazanium.
What is the SMILES notation for hexan-3-ylazanium?
The canonical SMILES for hexan-3-ylazanium is CCCC([NH3+])CC.
What is the InChIKey of hexan-3-ylazanium?
The InChIKey is HQLZFBUAULNEGP-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15N/c1-3-5-6(7)4-2/h6H,3-5,7H2,1-2H3/p+1.
What are the key properties of hexan-3-ylazanium?
hexan-3-ylazanium has a molecular weight of 102.20 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-3-ylazanium is sourced from PubChem (CID 18463188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).