3-(2-aminopropan-2-yl)tridecan-2-ol

C16H35NO — CID 87354257

IUPAC3-(2-aminopropan-2-yl)tridecan-2-ol
SMILESCCCCCCCCCCC(C(C)O)C(C)(C)N
InChIInChI=1S/C16H35NO/c1-5-6-7-8-9-10-11-12-13-15(14(2)18)16(3,4)17/h14-15,18H,5-13,17H2,1-4H3
InChIKeyRPCGZCULAFXDGF-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.25
Rot. Bonds11

About 3-(2-aminopropan-2-yl)tridecan-2-ol

3-(2-aminopropan-2-yl)tridecan-2-ol (PubChem CID 87354257) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)tridecan-2-ol.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)tridecan-2-ol
PubChem CID87354257
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name3-(2-aminopropan-2-yl)tridecan-2-ol
SMILESCCCCCCCCCCC(C(C)O)C(C)(C)N
InChIInChI=1S/C16H35NO/c1-5-6-7-8-9-10-11-12-13-15(14(2)18)16(3,4)17/h14-15,18H,5-13,17H2,1-4H3
InChIKeyRPCGZCULAFXDGF-UHFFFAOYSA-N
XLogP4.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-aminopropan-2-yl)tridecan-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 3-(2-aminopropan-2-yl)tridecan-2-ol?
The IUPAC name of 3-(2-aminopropan-2-yl)tridecan-2-ol (CID 87354257) is 3-(2-aminopropan-2-yl)tridecan-2-ol.
What is the SMILES notation for 3-(2-aminopropan-2-yl)tridecan-2-ol?
The canonical SMILES for 3-(2-aminopropan-2-yl)tridecan-2-ol is CCCCCCCCCCC(C(C)O)C(C)(C)N.
What is the InChIKey of 3-(2-aminopropan-2-yl)tridecan-2-ol?
The InChIKey is RPCGZCULAFXDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-5-6-7-8-9-10-11-12-13-15(14(2)18)16(3,4)17/h14-15,18H,5-13,17H2,1-4H3.
What are the key properties of 3-(2-aminopropan-2-yl)tridecan-2-ol?
3-(2-aminopropan-2-yl)tridecan-2-ol has a molecular weight of 257.46 g/mol, XLogP of 4.25, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)tridecan-2-ol is sourced from PubChem (CID 87354257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).