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

C13H25NO2 — CID 103392229

IUPAC5-(5,5-dimethyloxolan-2-yl)-4-(methoxymethyl)pent-4-en-1-amine
SMILESCOCC(=CC1CCC(C)(C)O1)CCCN
InChIInChI=1S/C13H25NO2/c1-13(2)7-6-12(16-13)9-11(10-15-3)5-4-8-14/h9,12H,4-8,10,14H2,1-3H3
InChIKeyNZGLFSUKCVZADK-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.26
Rot. Bonds6

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

5-(5,5-dimethyloxolan-2-yl)-4-(methoxymethyl)pent-4-en-1-amine (PubChem CID 103392229) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-(5,5-dimethyloxolan-2-yl)-4-(methoxymethyl)pent-4-en-1-amine.

Molecular Properties

Compound Name5-(5,5-dimethyloxolan-2-yl)-4-(methoxymethyl)pent-4-en-1-amine
PubChem CID103392229
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name5-(5,5-dimethyloxolan-2-yl)-4-(methoxymethyl)pent-4-en-1-amine
SMILESCOCC(=CC1CCC(C)(C)O1)CCCN
InChIInChI=1S/C13H25NO2/c1-13(2)7-6-12(16-13)9-11(10-15-3)5-4-8-14/h9,12H,4-8,10,14H2,1-3H3
InChIKeyNZGLFSUKCVZADK-UHFFFAOYSA-N
XLogP2.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-4-methoxy-5-methylidenecyclopent-2-en-1-yl]ethanamine
CID 129253890
(Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine
CID 155228105
(3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine
CID 155228157
2-(2,2,5,5-Tetramethyloxolan-3-ylidene)ethanamine
CID 79934486
3-(2,2,5,5-Tetramethyloxolan-3-ylidene)propan-1-amine
CID 79934487
(2E)-2-(oxolan-2-ylmethylidene)butan-1-amine
CID 82838393
(2E)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine
CID 82838394
(2Z)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
CID 82838628
(2Z)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
CID 82838629
(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine
CID 82838796
4-[(5-Methyloxolan-2-yl)methylidene]cyclohexan-1-amine
CID 103143059
(3Z)-3-[(5-methyloxolan-2-yl)methylidene]cyclopentan-1-amine
CID 103143065

Frequently Asked Questions

What is the IUPAC name of 5-(5,5-dimethyloxolan-2-yl)-4-(methoxymethyl)pent-4-en-1-amine?
The IUPAC name of 5-(5,5-dimethyloxolan-2-yl)-4-(methoxymethyl)pent-4-en-1-amine (CID 103392229) is 5-(5,5-dimethyloxolan-2-yl)-4-(methoxymethyl)pent-4-en-1-amine.
What is the SMILES notation for 5-(5,5-dimethyloxolan-2-yl)-4-(methoxymethyl)pent-4-en-1-amine?
The canonical SMILES for 5-(5,5-dimethyloxolan-2-yl)-4-(methoxymethyl)pent-4-en-1-amine is COCC(=CC1CCC(C)(C)O1)CCCN.
What is the InChIKey of 5-(5,5-dimethyloxolan-2-yl)-4-(methoxymethyl)pent-4-en-1-amine?
The InChIKey is NZGLFSUKCVZADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2)7-6-12(16-13)9-11(10-15-3)5-4-8-14/h9,12H,4-8,10,14H2,1-3H3.
What are the key properties of 5-(5,5-dimethyloxolan-2-yl)-4-(methoxymethyl)pent-4-en-1-amine?
5-(5,5-dimethyloxolan-2-yl)-4-(methoxymethyl)pent-4-en-1-amine has a molecular weight of 227.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,5-dimethyloxolan-2-yl)-4-(methoxymethyl)pent-4-en-1-amine is sourced from PubChem (CID 103392229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).