4-aminobutyl-methanidyl-methylazanium

C6H16N2 — CID 90902628

IUPAC4-aminobutyl-methanidyl-methylazanium
SMILES[CH2-][NH+](C)CCCCN
InChIInChI=1S/C6H16N2/c1-8(2)6-4-3-5-7/h8H,1,3-7H2,2H3
InChIKeyOIKLXHRDAYMPQW-UHFFFAOYSA-N
MW116.21 g/mol
LogP-0.97
Rot. Bonds4

About 4-aminobutyl-methanidyl-methylazanium

4-aminobutyl-methanidyl-methylazanium (PubChem CID 90902628) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is 4-aminobutyl-methanidyl-methylazanium.

Molecular Properties

Compound Name4-aminobutyl-methanidyl-methylazanium
PubChem CID90902628
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name4-aminobutyl-methanidyl-methylazanium
SMILES[CH2-][NH+](C)CCCCN
InChIInChI=1S/C6H16N2/c1-8(2)6-4-3-5-7/h8H,1,3-7H2,2H3
InChIKeyOIKLXHRDAYMPQW-UHFFFAOYSA-N
XLogP-0.97
TPSA30.46 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-aminobutyl-methanidyl-methylazanium?
The IUPAC name of 4-aminobutyl-methanidyl-methylazanium (CID 90902628) is 4-aminobutyl-methanidyl-methylazanium.
What is the SMILES notation for 4-aminobutyl-methanidyl-methylazanium?
The canonical SMILES for 4-aminobutyl-methanidyl-methylazanium is [CH2-][NH+](C)CCCCN.
What is the InChIKey of 4-aminobutyl-methanidyl-methylazanium?
The InChIKey is OIKLXHRDAYMPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2/c1-8(2)6-4-3-5-7/h8H,1,3-7H2,2H3.
What are the key properties of 4-aminobutyl-methanidyl-methylazanium?
4-aminobutyl-methanidyl-methylazanium has a molecular weight of 116.21 g/mol, XLogP of -0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutyl-methanidyl-methylazanium is sourced from PubChem (CID 90902628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).