2-(cyclopentylmethoxymethyl)-N-propylprop-2-en-1-amine

C13H25NO — CID 103074906

IUPAC2-(cyclopentylmethoxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COCC1CCCC1
InChIInChI=1S/C13H25NO/c1-3-8-14-9-12(2)10-15-11-13-6-4-5-7-13/h13-14H,2-11H2,1H3
InChIKeyOQRGXXBKTYWSQA-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds8

About 2-(cyclopentylmethoxymethyl)-N-propylprop-2-en-1-amine

2-(cyclopentylmethoxymethyl)-N-propylprop-2-en-1-amine (PubChem CID 103074906) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(cyclopentylmethoxymethyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethoxymethyl)-N-propylprop-2-en-1-amine
PubChem CID103074906
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-(cyclopentylmethoxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COCC1CCCC1
InChIInChI=1S/C13H25NO/c1-3-8-14-9-12(2)10-15-11-13-6-4-5-7-13/h13-14H,2-11H2,1H3
InChIKeyOQRGXXBKTYWSQA-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclopentylmethoxymethyl)-N-propylprop-2-en-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 2-(cyclopentylmethoxymethyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-(cyclopentylmethoxymethyl)-N-propylprop-2-en-1-amine (CID 103074906) is 2-(cyclopentylmethoxymethyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-(cyclopentylmethoxymethyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-(cyclopentylmethoxymethyl)-N-propylprop-2-en-1-amine is C=C(CNCCC)COCC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethoxymethyl)-N-propylprop-2-en-1-amine?
The InChIKey is OQRGXXBKTYWSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-8-14-9-12(2)10-15-11-13-6-4-5-7-13/h13-14H,2-11H2,1H3.
What are the key properties of 2-(cyclopentylmethoxymethyl)-N-propylprop-2-en-1-amine?
2-(cyclopentylmethoxymethyl)-N-propylprop-2-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxymethyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 103074906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).