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

C12H23NO — CID 103074900

IUPAC2-(cyclopentylmethoxymethyl)-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)COCC1CCCC1
InChIInChI=1S/C12H23NO/c1-3-13-8-11(2)9-14-10-12-6-4-5-7-12/h12-13H,2-10H2,1H3
InChIKeySPFPWXGFVQAFOF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds7

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

2-(cyclopentylmethoxymethyl)-N-ethylprop-2-en-1-amine (PubChem CID 103074900) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(cyclopentylmethoxymethyl)-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethoxymethyl)-N-ethylprop-2-en-1-amine
PubChem CID103074900
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(cyclopentylmethoxymethyl)-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)COCC1CCCC1
InChIInChI=1S/C12H23NO/c1-3-13-8-11(2)9-14-10-12-6-4-5-7-12/h12-13H,2-10H2,1H3
InChIKeySPFPWXGFVQAFOF-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclopentylmethoxymethyl)-N-ethylprop-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-ethylprop-2-en-1-amine?
The IUPAC name of 2-(cyclopentylmethoxymethyl)-N-ethylprop-2-en-1-amine (CID 103074900) is 2-(cyclopentylmethoxymethyl)-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 2-(cyclopentylmethoxymethyl)-N-ethylprop-2-en-1-amine?
The canonical SMILES for 2-(cyclopentylmethoxymethyl)-N-ethylprop-2-en-1-amine is C=C(CNCC)COCC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethoxymethyl)-N-ethylprop-2-en-1-amine?
The InChIKey is SPFPWXGFVQAFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-13-8-11(2)9-14-10-12-6-4-5-7-12/h12-13H,2-10H2,1H3.
What are the key properties of 2-(cyclopentylmethoxymethyl)-N-ethylprop-2-en-1-amine?
2-(cyclopentylmethoxymethyl)-N-ethylprop-2-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxymethyl)-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 103074900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).