azane;N-hexyldecan-1-amine;dihydroiodide

C16H40I2N2 — CID 173206397

IUPACazane;N-hexyldecan-1-amine;dihydroiodide
SMILESCCCCCCCCCCNCCCCCC.I.I.N
InChIInChI=1S/C16H35N.2HI.H3N/c1-3-5-7-9-10-11-12-14-16-17-15-13-8-6-4-2;;;/h17H,3-16H2,1-2H3;2*1H;1H3
InChIKeyOPWDBFLJZRFBSG-UHFFFAOYSA-N
MW514.32 g/mol
LogP6.70
Rot. Bonds14

About azane;N-hexyldecan-1-amine;dihydroiodide

azane;N-hexyldecan-1-amine;dihydroiodide (PubChem CID 173206397) has the molecular formula C16H40I2N2 and a molecular weight of 514.32 g/mol. Its IUPAC name is azane;N-hexyldecan-1-amine;dihydroiodide.

Molecular Properties

Compound Nameazane;N-hexyldecan-1-amine;dihydroiodide
PubChem CID173206397
Molecular FormulaC16H40I2N2
Molecular Weight514.32 g/mol
Exact Mass514.13
IUPAC Nameazane;N-hexyldecan-1-amine;dihydroiodide
SMILESCCCCCCCCCCNCCCCCC.I.I.N
InChIInChI=1S/C16H35N.2HI.H3N/c1-3-5-7-9-10-11-12-14-16-17-15-13-8-6-4-2;;;/h17H,3-16H2,1-2H3;2*1H;1H3
InChIKeyOPWDBFLJZRFBSG-UHFFFAOYSA-N
XLogP6.70
TPSA47.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.32
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze azane;N-hexyldecan-1-amine;dihydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-propylhexadecan-1-amine;hydroiodide
CID 175532385
azane;N-propyltetradecan-1-amine
CID 18792183
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
methane;N-octyloctan-1-amine
CID 87294693

Frequently Asked Questions

What is the IUPAC name of azane;N-hexyldecan-1-amine;dihydroiodide?
The IUPAC name of azane;N-hexyldecan-1-amine;dihydroiodide (CID 173206397) is azane;N-hexyldecan-1-amine;dihydroiodide.
What is the SMILES notation for azane;N-hexyldecan-1-amine;dihydroiodide?
The canonical SMILES for azane;N-hexyldecan-1-amine;dihydroiodide is CCCCCCCCCCNCCCCCC.I.I.N.
What is the InChIKey of azane;N-hexyldecan-1-amine;dihydroiodide?
The InChIKey is OPWDBFLJZRFBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N.2HI.H3N/c1-3-5-7-9-10-11-12-14-16-17-15-13-8-6-4-2;;;/h17H,3-16H2,1-2H3;2*1H;1H3.
What are the key properties of azane;N-hexyldecan-1-amine;dihydroiodide?
azane;N-hexyldecan-1-amine;dihydroiodide has a molecular weight of 514.32 g/mol, XLogP of 6.70, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-hexyldecan-1-amine;dihydroiodide is sourced from PubChem (CID 173206397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).