7-heptan-3-yl-7-aza-4-azoniaspiro[3.5]nonan-2-ol

C14H29N2O+ — CID 142005790

IUPAC7-heptan-3-yl-7-aza-4-azoniaspiro[3.5]nonan-2-ol
SMILESCCCCC(CC)N1CC[N+]2(CC1)CC(O)C2
InChIInChI=1S/C14H29N2O/c1-3-5-6-13(4-2)15-7-9-16(10-8-15)11-14(17)12-16/h13-14,17H,3-12H2,1-2H3/q+1
InChIKeyPPCWPAJHQQMOQA-UHFFFAOYSA-N
MW241.40 g/mol
LogP1.46
Rot. Bonds5

About 7-heptan-3-yl-7-aza-4-azoniaspiro[3.5]nonan-2-ol

7-heptan-3-yl-7-aza-4-azoniaspiro[3.5]nonan-2-ol (PubChem CID 142005790) has the molecular formula C14H29N2O+ and a molecular weight of 241.40 g/mol. Its IUPAC name is 7-heptan-3-yl-7-aza-4-azoniaspiro[3.5]nonan-2-ol.

Molecular Properties

Compound Name7-heptan-3-yl-7-aza-4-azoniaspiro[3.5]nonan-2-ol
PubChem CID142005790
Molecular FormulaC14H29N2O+
Molecular Weight241.40 g/mol
Exact Mass241.23
IUPAC Name7-heptan-3-yl-7-aza-4-azoniaspiro[3.5]nonan-2-ol
SMILESCCCCC(CC)N1CC[N+]2(CC1)CC(O)C2
InChIInChI=1S/C14H29N2O/c1-3-5-6-13(4-2)15-7-9-16(10-8-15)11-14(17)12-16/h13-14,17H,3-12H2,1-2H3/q+1
InChIKeyPPCWPAJHQQMOQA-UHFFFAOYSA-N
XLogP1.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 7-heptan-3-yl-7-aza-4-azoniaspiro[3.5]nonan-2-ol 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 7-heptan-3-yl-7-aza-4-azoniaspiro[3.5]nonan-2-ol?
The IUPAC name of 7-heptan-3-yl-7-aza-4-azoniaspiro[3.5]nonan-2-ol (CID 142005790) is 7-heptan-3-yl-7-aza-4-azoniaspiro[3.5]nonan-2-ol.
What is the SMILES notation for 7-heptan-3-yl-7-aza-4-azoniaspiro[3.5]nonan-2-ol?
The canonical SMILES for 7-heptan-3-yl-7-aza-4-azoniaspiro[3.5]nonan-2-ol is CCCCC(CC)N1CC[N+]2(CC1)CC(O)C2.
What is the InChIKey of 7-heptan-3-yl-7-aza-4-azoniaspiro[3.5]nonan-2-ol?
The InChIKey is PPCWPAJHQQMOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N2O/c1-3-5-6-13(4-2)15-7-9-16(10-8-15)11-14(17)12-16/h13-14,17H,3-12H2,1-2H3/q+1.
What are the key properties of 7-heptan-3-yl-7-aza-4-azoniaspiro[3.5]nonan-2-ol?
7-heptan-3-yl-7-aza-4-azoniaspiro[3.5]nonan-2-ol has a molecular weight of 241.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-heptan-3-yl-7-aza-4-azoniaspiro[3.5]nonan-2-ol is sourced from PubChem (CID 142005790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).