decan-1-amine;tetrakis(hexane);hydroiodide

C34H80IN — CID 173346664

IUPACdecan-1-amine;tetrakis(hexane);hydroiodide
SMILESCCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCCCCCCN.I
InChIInChI=1S/C10H23N.4C6H14.HI/c1-2-3-4-5-6-7-8-9-10-11;4*1-3-5-6-4-2;/h2-11H2,1H3;4*3-6H2,1-2H3;1H
InChIKeyZFLVWINKLLEPNU-UHFFFAOYSA-N
MW629.93 g/mol
LogP14.05
Rot. Bonds20

About decan-1-amine;tetrakis(hexane);hydroiodide

decan-1-amine;tetrakis(hexane);hydroiodide (PubChem CID 173346664) has the molecular formula C34H80IN and a molecular weight of 629.93 g/mol. Its IUPAC name is decan-1-amine;tetrakis(hexane);hydroiodide.

Molecular Properties

Compound Namedecan-1-amine;tetrakis(hexane);hydroiodide
PubChem CID173346664
Molecular FormulaC34H80IN
Molecular Weight629.93 g/mol
Exact Mass629.53
IUPAC Namedecan-1-amine;tetrakis(hexane);hydroiodide
SMILESCCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCCCCCCN.I
InChIInChI=1S/C10H23N.4C6H14.HI/c1-2-3-4-5-6-7-8-9-10-11;4*1-3-5-6-4-2;/h2-11H2,1H3;4*3-6H2,1-2H3;1H
InChIKeyZFLVWINKLLEPNU-UHFFFAOYSA-N
XLogP14.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.93
LogP ≤ 514.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze decan-1-amine;tetrakis(hexane);hydroiodide 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

hexadecan-1-amine;hydroiodide
CID 173125534
tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
decane;decane-1,10-diamine;methanediamine
CID 158649191
octadecan-1-amine;titanium
CID 174493472
tetracosan-1-amine;hydrobromide
CID 175600580
octadecan-1-amine;hydrate
CID 158026408
octadecan-1-amine;trihydrochloride
CID 175177898
copper;hexan-1-amine
CID 87269039

Frequently Asked Questions

What is the IUPAC name of decan-1-amine;tetrakis(hexane);hydroiodide?
The IUPAC name of decan-1-amine;tetrakis(hexane);hydroiodide (CID 173346664) is decan-1-amine;tetrakis(hexane);hydroiodide.
What is the SMILES notation for decan-1-amine;tetrakis(hexane);hydroiodide?
The canonical SMILES for decan-1-amine;tetrakis(hexane);hydroiodide is CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCCCCCCN.I.
What is the InChIKey of decan-1-amine;tetrakis(hexane);hydroiodide?
The InChIKey is ZFLVWINKLLEPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.4C6H14.HI/c1-2-3-4-5-6-7-8-9-10-11;4*1-3-5-6-4-2;/h2-11H2,1H3;4*3-6H2,1-2H3;1H.
What are the key properties of decan-1-amine;tetrakis(hexane);hydroiodide?
decan-1-amine;tetrakis(hexane);hydroiodide has a molecular weight of 629.93 g/mol, XLogP of 14.05, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decan-1-amine;tetrakis(hexane);hydroiodide is sourced from PubChem (CID 173346664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).