1-propan-2-yl-1-azacyclopentadeca-3,5,11,13-tetrayne

C17H19N — CID 11402148

IUPAC1-propan-2-yl-1-azacyclopentadeca-3,5,11,13-tetrayne
SMILESCC(C)N1CC#CC#CCCCCC#CC#CC1
InChIInChI=1S/C17H19N/c1-17(2)18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18/h17H,3-6,15-16H2,1-2H3
InChIKeySGUPMGOPNVEMJA-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.28
Rot. Bonds1

About 1-propan-2-yl-1-azacyclopentadeca-3,5,11,13-tetrayne

1-propan-2-yl-1-azacyclopentadeca-3,5,11,13-tetrayne (PubChem CID 11402148) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-propan-2-yl-1-azacyclopentadeca-3,5,11,13-tetrayne.

Molecular Properties

Compound Name1-propan-2-yl-1-azacyclopentadeca-3,5,11,13-tetrayne
PubChem CID11402148
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name1-propan-2-yl-1-azacyclopentadeca-3,5,11,13-tetrayne
SMILESCC(C)N1CC#CC#CCCCCC#CC#CC1
InChIInChI=1S/C17H19N/c1-17(2)18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18/h17H,3-6,15-16H2,1-2H3
InChIKeySGUPMGOPNVEMJA-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-propan-2-yl-1-azacyclopentadeca-3,5,11,13-tetrayne with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-1-azacyclopentadeca-3,5,11,13-tetrayne?
The IUPAC name of 1-propan-2-yl-1-azacyclopentadeca-3,5,11,13-tetrayne (CID 11402148) is 1-propan-2-yl-1-azacyclopentadeca-3,5,11,13-tetrayne.
What is the SMILES notation for 1-propan-2-yl-1-azacyclopentadeca-3,5,11,13-tetrayne?
The canonical SMILES for 1-propan-2-yl-1-azacyclopentadeca-3,5,11,13-tetrayne is CC(C)N1CC#CC#CCCCCC#CC#CC1.
What is the InChIKey of 1-propan-2-yl-1-azacyclopentadeca-3,5,11,13-tetrayne?
The InChIKey is SGUPMGOPNVEMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-17(2)18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18/h17H,3-6,15-16H2,1-2H3.
What are the key properties of 1-propan-2-yl-1-azacyclopentadeca-3,5,11,13-tetrayne?
1-propan-2-yl-1-azacyclopentadeca-3,5,11,13-tetrayne has a molecular weight of 237.35 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-1-azacyclopentadeca-3,5,11,13-tetrayne is sourced from PubChem (CID 11402148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).