icosane-5,10,16-triamine

C20H45N3 — CID 88870264

IUPACicosane-5,10,16-triamine
SMILESCCCCC(N)CCCCCC(N)CCCCC(N)CCCC
InChIInChI=1S/C20H45N3/c1-3-5-12-18(21)14-8-7-9-15-20(23)17-11-10-16-19(22)13-6-4-2/h18-20H,3-17,21-23H2,1-2H3
InChIKeyLACMVSKZQQSNNV-UHFFFAOYSA-N
MW327.60 g/mol
LogP4.86
Rot. Bonds17

About icosane-5,10,16-triamine

icosane-5,10,16-triamine (PubChem CID 88870264) has the molecular formula C20H45N3 and a molecular weight of 327.60 g/mol. Its IUPAC name is icosane-5,10,16-triamine.

Molecular Properties

Compound Nameicosane-5,10,16-triamine
PubChem CID88870264
Molecular FormulaC20H45N3
Molecular Weight327.60 g/mol
Exact Mass327.36
IUPAC Nameicosane-5,10,16-triamine
SMILESCCCCC(N)CCCCCC(N)CCCCC(N)CCCC
InChIInChI=1S/C20H45N3/c1-3-5-12-18(21)14-8-7-9-15-20(23)17-11-10-16-19(22)13-6-4-2/h18-20H,3-17,21-23H2,1-2H3
InChIKeyLACMVSKZQQSNNV-UHFFFAOYSA-N
XLogP4.86
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.60
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze icosane-5,10,16-triamine 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

pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
(16R)-16-butyldocosan-7-amine
CID 138605892
(4R)-tridecan-4-amine
CID 150614684
nonan-4-amine;hydrochloride
CID 86176929
heptadecan-4-amine;hydrochloride
CID 173248342
decan-4-amine;hydrochloride
CID 87728109
nonadecane-1,13-diamine
CID 102135569
octadecane-1,5-diamine
CID 154229011
undecane-1,6-diamine
CID 18419788

Frequently Asked Questions

What is the IUPAC name of icosane-5,10,16-triamine?
The IUPAC name of icosane-5,10,16-triamine (CID 88870264) is icosane-5,10,16-triamine.
What is the SMILES notation for icosane-5,10,16-triamine?
The canonical SMILES for icosane-5,10,16-triamine is CCCCC(N)CCCCCC(N)CCCCC(N)CCCC.
What is the InChIKey of icosane-5,10,16-triamine?
The InChIKey is LACMVSKZQQSNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45N3/c1-3-5-12-18(21)14-8-7-9-15-20(23)17-11-10-16-19(22)13-6-4-2/h18-20H,3-17,21-23H2,1-2H3.
What are the key properties of icosane-5,10,16-triamine?
icosane-5,10,16-triamine has a molecular weight of 327.60 g/mol, XLogP of 4.86, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for icosane-5,10,16-triamine is sourced from PubChem (CID 88870264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).