3-cyclopropyl-3-pentoxypropan-1-amine

C11H23NO — CID 70501873

IUPAC3-cyclopropyl-3-pentoxypropan-1-amine
SMILESCCCCCOC(CCN)C1CC1
InChIInChI=1S/C11H23NO/c1-2-3-4-9-13-11(7-8-12)10-5-6-10/h10-11H,2-9,12H2,1H3
InChIKeyOQDRYXIYSUELLQ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.32
Rot. Bonds8

About 3-cyclopropyl-3-pentoxypropan-1-amine

3-cyclopropyl-3-pentoxypropan-1-amine (PubChem CID 70501873) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-cyclopropyl-3-pentoxypropan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-3-pentoxypropan-1-amine
PubChem CID70501873
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-cyclopropyl-3-pentoxypropan-1-amine
SMILESCCCCCOC(CCN)C1CC1
InChIInChI=1S/C11H23NO/c1-2-3-4-9-13-11(7-8-12)10-5-6-10/h10-11H,2-9,12H2,1H3
InChIKeyOQDRYXIYSUELLQ-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-cyclopropyl-3-pentoxypropan-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 3-cyclopropyl-3-pentoxypropan-1-amine?
The IUPAC name of 3-cyclopropyl-3-pentoxypropan-1-amine (CID 70501873) is 3-cyclopropyl-3-pentoxypropan-1-amine.
What is the SMILES notation for 3-cyclopropyl-3-pentoxypropan-1-amine?
The canonical SMILES for 3-cyclopropyl-3-pentoxypropan-1-amine is CCCCCOC(CCN)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-pentoxypropan-1-amine?
The InChIKey is OQDRYXIYSUELLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-2-3-4-9-13-11(7-8-12)10-5-6-10/h10-11H,2-9,12H2,1H3.
What are the key properties of 3-cyclopropyl-3-pentoxypropan-1-amine?
3-cyclopropyl-3-pentoxypropan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-pentoxypropan-1-amine is sourced from PubChem (CID 70501873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).