azacyclotriacontane

C29H59N — CID 57238597

IUPACazacyclotriacontane
SMILESC1CCCCCCCCCCCCCCNCCCCCCCCCCCCCC1
InChIInChI=1S/C29H59N/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h30H,1-29H2
InChIKeyQPJBFHQIHYEOGZ-UHFFFAOYSA-N
MW421.80 g/mol
LogP10.12
Rot. Bonds

About azacyclotriacontane

azacyclotriacontane (PubChem CID 57238597) has the molecular formula C29H59N and a molecular weight of 421.80 g/mol. Its IUPAC name is azacyclotriacontane.

Molecular Properties

Compound Nameazacyclotriacontane
PubChem CID57238597
Molecular FormulaC29H59N
Molecular Weight421.80 g/mol
Exact Mass421.46
IUPAC Nameazacyclotriacontane
SMILESC1CCCCCCCCCCCCCCNCCCCCCCCCCCCCC1
InChIInChI=1S/C29H59N/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h30H,1-29H2
InChIKeyQPJBFHQIHYEOGZ-UHFFFAOYSA-N
XLogP10.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.80
LogP ≤ 510.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze azacyclotriacontane 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

azacycloheptadecane
CID 22627811
azepane;piperidine
CID 67415778
1,12,23,34-tetrazacyclotetratetracontane
CID 15722582
1,6,13-triazacyclononadecane
CID 71376561
1,8,15,22-tetrazacyclooctacosane
CID 15722579
azonane;manganese
CID 57468151
1,4,11,14-tetrazacycloicosane
CID 10989751
λ2-plumbane;piperidine
CID 174691301
hydron;piperidine;bromide
CID 21435933
bis(piperidine);hydrate;tetrahydrochloride
CID 67752585
magnesium;piperidine;bromide
CID 173330066
lithium;azacycloundecane;hydride
CID 175005284

Frequently Asked Questions

What is the IUPAC name of azacyclotriacontane?
The IUPAC name of azacyclotriacontane (CID 57238597) is azacyclotriacontane.
What is the SMILES notation for azacyclotriacontane?
The canonical SMILES for azacyclotriacontane is C1CCCCCCCCCCCCCCNCCCCCCCCCCCCCC1.
What is the InChIKey of azacyclotriacontane?
The InChIKey is QPJBFHQIHYEOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H59N/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h30H,1-29H2.
What are the key properties of azacyclotriacontane?
azacyclotriacontane has a molecular weight of 421.80 g/mol, XLogP of 10.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azacyclotriacontane is sourced from PubChem (CID 57238597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).