5-amino-2-heptan-3-yl-3,5-dimethyloxan-4-ol

C14H29NO2 — CID 155330622

IUPAC5-amino-2-heptan-3-yl-3,5-dimethyloxan-4-ol
SMILESCCCCC(CC)C1OCC(C)(N)C(O)C1C
InChIInChI=1S/C14H29NO2/c1-5-7-8-11(6-2)12-10(3)13(16)14(4,15)9-17-12/h10-13,16H,5-9,15H2,1-4H3
InChIKeyIMNSTSBXPRNVMM-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.32
Rot. Bonds5

About 5-amino-2-heptan-3-yl-3,5-dimethyloxan-4-ol

5-amino-2-heptan-3-yl-3,5-dimethyloxan-4-ol (PubChem CID 155330622) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 5-amino-2-heptan-3-yl-3,5-dimethyloxan-4-ol.

Molecular Properties

Compound Name5-amino-2-heptan-3-yl-3,5-dimethyloxan-4-ol
PubChem CID155330622
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name5-amino-2-heptan-3-yl-3,5-dimethyloxan-4-ol
SMILESCCCCC(CC)C1OCC(C)(N)C(O)C1C
InChIInChI=1S/C14H29NO2/c1-5-7-8-11(6-2)12-10(3)13(16)14(4,15)9-17-12/h10-13,16H,5-9,15H2,1-4H3
InChIKeyIMNSTSBXPRNVMM-UHFFFAOYSA-N
XLogP2.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-2-heptan-3-yl-3,5-dimethyloxan-4-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 5-amino-2-heptan-3-yl-3,5-dimethyloxan-4-ol?
The IUPAC name of 5-amino-2-heptan-3-yl-3,5-dimethyloxan-4-ol (CID 155330622) is 5-amino-2-heptan-3-yl-3,5-dimethyloxan-4-ol.
What is the SMILES notation for 5-amino-2-heptan-3-yl-3,5-dimethyloxan-4-ol?
The canonical SMILES for 5-amino-2-heptan-3-yl-3,5-dimethyloxan-4-ol is CCCCC(CC)C1OCC(C)(N)C(O)C1C.
What is the InChIKey of 5-amino-2-heptan-3-yl-3,5-dimethyloxan-4-ol?
The InChIKey is IMNSTSBXPRNVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-7-8-11(6-2)12-10(3)13(16)14(4,15)9-17-12/h10-13,16H,5-9,15H2,1-4H3.
What are the key properties of 5-amino-2-heptan-3-yl-3,5-dimethyloxan-4-ol?
5-amino-2-heptan-3-yl-3,5-dimethyloxan-4-ol has a molecular weight of 243.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-heptan-3-yl-3,5-dimethyloxan-4-ol is sourced from PubChem (CID 155330622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).