4-(methoxymethyl)-5-(oxolan-2-yl)pent-4-en-1-amine

C11H21NO2 — CID 103392075

IUPAC4-(methoxymethyl)-5-(oxolan-2-yl)pent-4-en-1-amine
SMILESCOCC(=CC1CCCO1)CCCN
InChIInChI=1S/C11H21NO2/c1-13-9-10(4-2-6-12)8-11-5-3-7-14-11/h8,11H,2-7,9,12H2,1H3
InChIKeyRXGGFZOZKUKQRR-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.48
Rot. Bonds6

About 4-(methoxymethyl)-5-(oxolan-2-yl)pent-4-en-1-amine

4-(methoxymethyl)-5-(oxolan-2-yl)pent-4-en-1-amine (PubChem CID 103392075) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-(methoxymethyl)-5-(oxolan-2-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name4-(methoxymethyl)-5-(oxolan-2-yl)pent-4-en-1-amine
PubChem CID103392075
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-(methoxymethyl)-5-(oxolan-2-yl)pent-4-en-1-amine
SMILESCOCC(=CC1CCCO1)CCCN
InChIInChI=1S/C11H21NO2/c1-13-9-10(4-2-6-12)8-11-5-3-7-14-11/h8,11H,2-7,9,12H2,1H3
InChIKeyRXGGFZOZKUKQRR-UHFFFAOYSA-N
XLogP1.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(methoxymethyl)-5-(oxolan-2-yl)pent-4-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

Related Compounds

[(4Z)-4-ethylidene-5-methylideneoxolan-2-yl]methanamine
CID 130191118
(Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine
CID 155228105
(3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine
CID 155228157
3-(Propan-2-yloxymethyl)cyclopent-2-en-1-amine
CID 79569409
4-(Oxolan-2-ylmethylidene)cyclohexan-1-amine
CID 79879471
(3Z)-3-(oxolan-2-ylmethylidene)cyclopentan-1-amine
CID 79880012
(3Z)-3-(oxolan-2-ylmethylidene)cyclohexan-1-amine
CID 79880456
3-(2-Methyloxolan-3-ylidene)propan-1-amine
CID 82718052
(2Z)-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine
CID 82836809
(2E)-2-(oxolan-2-ylmethylidene)butan-1-amine
CID 82838393
(2E)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine
CID 82838394
(E)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine
CID 82838395

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-5-(oxolan-2-yl)pent-4-en-1-amine?
The IUPAC name of 4-(methoxymethyl)-5-(oxolan-2-yl)pent-4-en-1-amine (CID 103392075) is 4-(methoxymethyl)-5-(oxolan-2-yl)pent-4-en-1-amine.
What is the SMILES notation for 4-(methoxymethyl)-5-(oxolan-2-yl)pent-4-en-1-amine?
The canonical SMILES for 4-(methoxymethyl)-5-(oxolan-2-yl)pent-4-en-1-amine is COCC(=CC1CCCO1)CCCN.
What is the InChIKey of 4-(methoxymethyl)-5-(oxolan-2-yl)pent-4-en-1-amine?
The InChIKey is RXGGFZOZKUKQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-13-9-10(4-2-6-12)8-11-5-3-7-14-11/h8,11H,2-7,9,12H2,1H3.
What are the key properties of 4-(methoxymethyl)-5-(oxolan-2-yl)pent-4-en-1-amine?
4-(methoxymethyl)-5-(oxolan-2-yl)pent-4-en-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-5-(oxolan-2-yl)pent-4-en-1-amine is sourced from PubChem (CID 103392075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).