tridecan-1-amine;undecan-1-amine

C24H54N2 — CID 23045943

IUPACtridecan-1-amine;undecan-1-amine
SMILESCCCCCCCCCCCCCN.CCCCCCCCCCCN
InChIInChI=1S/C13H29N.C11H25N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-2-3-4-5-6-7-8-9-10-11-12/h2-14H2,1H3;2-12H2,1H3
InChIKeyXLOTZZZWBNGJSX-UHFFFAOYSA-N
MW370.71 g/mol
LogP7.73
Rot. Bonds20

About tridecan-1-amine;undecan-1-amine

tridecan-1-amine;undecan-1-amine (PubChem CID 23045943) has the molecular formula C24H54N2 and a molecular weight of 370.71 g/mol. Its IUPAC name is tridecan-1-amine;undecan-1-amine.

Molecular Properties

Compound Nametridecan-1-amine;undecan-1-amine
PubChem CID23045943
Molecular FormulaC24H54N2
Molecular Weight370.71 g/mol
Exact Mass370.43
IUPAC Nametridecan-1-amine;undecan-1-amine
SMILESCCCCCCCCCCCCCN.CCCCCCCCCCCN
InChIInChI=1S/C13H29N.C11H25N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-2-3-4-5-6-7-8-9-10-11-12/h2-14H2,1H3;2-12H2,1H3
InChIKeyXLOTZZZWBNGJSX-UHFFFAOYSA-N
XLogP7.73
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.71
LogP ≤ 57.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tridecan-1-amine;undecan-1-amine 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

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
tetracosan-1-amine;hydrobromide
CID 175600580
decane;decane-1,10-diamine;methanediamine
CID 158649191
octadecan-1-amine;titanium
CID 174493472
octadecan-1-amine;trihydrochloride
CID 175177898
copper;hexan-1-amine
CID 87269039
nonan-1-amine;dihydrate
CID 174770026
pentadecan-1-amine;hydrobromide
CID 173087623
octadecan-1-amine;hydrate
CID 158026408

Frequently Asked Questions

What is the IUPAC name of tridecan-1-amine;undecan-1-amine?
The IUPAC name of tridecan-1-amine;undecan-1-amine (CID 23045943) is tridecan-1-amine;undecan-1-amine.
What is the SMILES notation for tridecan-1-amine;undecan-1-amine?
The canonical SMILES for tridecan-1-amine;undecan-1-amine is CCCCCCCCCCCCCN.CCCCCCCCCCCN.
What is the InChIKey of tridecan-1-amine;undecan-1-amine?
The InChIKey is XLOTZZZWBNGJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N.C11H25N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-2-3-4-5-6-7-8-9-10-11-12/h2-14H2,1H3;2-12H2,1H3.
What are the key properties of tridecan-1-amine;undecan-1-amine?
tridecan-1-amine;undecan-1-amine has a molecular weight of 370.71 g/mol, XLogP of 7.73, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tridecan-1-amine;undecan-1-amine is sourced from PubChem (CID 23045943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).