N-octan-3-yloxypropan-1-amine

C11H25NO — CID 18414797

IUPACN-octan-3-yloxypropan-1-amine
SMILESCCCCCC(CC)ONCCC
InChIInChI=1S/C11H25NO/c1-4-7-8-9-11(6-3)13-12-10-5-2/h11-12H,4-10H2,1-3H3
InChIKeyVCXQARJBKKXAKZ-UHFFFAOYSA-N
MW187.33 g/mol
LogP3.28
Rot. Bonds9

About N-octan-3-yloxypropan-1-amine

N-octan-3-yloxypropan-1-amine (PubChem CID 18414797) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-octan-3-yloxypropan-1-amine.

Molecular Properties

Compound NameN-octan-3-yloxypropan-1-amine
PubChem CID18414797
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-octan-3-yloxypropan-1-amine
SMILESCCCCCC(CC)ONCCC
InChIInChI=1S/C11H25NO/c1-4-7-8-9-11(6-3)13-12-10-5-2/h11-12H,4-10H2,1-3H3
InChIKeyVCXQARJBKKXAKZ-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-octan-3-yloxypropan-1-amine 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 N-octan-3-yloxypropan-1-amine?
The IUPAC name of N-octan-3-yloxypropan-1-amine (CID 18414797) is N-octan-3-yloxypropan-1-amine.
What is the SMILES notation for N-octan-3-yloxypropan-1-amine?
The canonical SMILES for N-octan-3-yloxypropan-1-amine is CCCCCC(CC)ONCCC.
What is the InChIKey of N-octan-3-yloxypropan-1-amine?
The InChIKey is VCXQARJBKKXAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-7-8-9-11(6-3)13-12-10-5-2/h11-12H,4-10H2,1-3H3.
What are the key properties of N-octan-3-yloxypropan-1-amine?
N-octan-3-yloxypropan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-3-yloxypropan-1-amine is sourced from PubChem (CID 18414797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).