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

C12H23NO2 — CID 103392152

IUPAC4-(methoxymethyl)-5-(5-methyloxolan-2-yl)pent-4-en-1-amine
SMILESCOCC(=CC1CCC(C)O1)CCCN
InChIInChI=1S/C12H23NO2/c1-10-5-6-12(15-10)8-11(9-14-2)4-3-7-13/h8,10,12H,3-7,9,13H2,1-2H3
InChIKeyKVQIODVLARXNNK-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.87
Rot. Bonds6

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

4-(methoxymethyl)-5-(5-methyloxolan-2-yl)pent-4-en-1-amine (PubChem CID 103392152) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(methoxymethyl)-5-(5-methyloxolan-2-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name4-(methoxymethyl)-5-(5-methyloxolan-2-yl)pent-4-en-1-amine
PubChem CID103392152
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-(methoxymethyl)-5-(5-methyloxolan-2-yl)pent-4-en-1-amine
SMILESCOCC(=CC1CCC(C)O1)CCCN
InChIInChI=1S/C12H23NO2/c1-10-5-6-12(15-10)8-11(9-14-2)4-3-7-13/h8,10,12H,3-7,9,13H2,1-2H3
InChIKeyKVQIODVLARXNNK-UHFFFAOYSA-N
XLogP1.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.87
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

(E)-6-(oxolan-2-yl)oct-5-en-3-amine
CID 89074037
2-[(1S)-4-methoxy-5-methylidenecyclopent-2-en-1-yl]ethanamine
CID 129253890
[(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
(Z)-4-(1-methoxyethyl)hex-4-en-2-amine
CID 163745738
3-(Propan-2-yloxymethyl)cyclopent-2-en-1-amine
CID 79569409
3-(Propoxymethyl)cyclopent-2-en-1-amine
CID 79569410
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

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-5-(5-methyloxolan-2-yl)pent-4-en-1-amine?
The IUPAC name of 4-(methoxymethyl)-5-(5-methyloxolan-2-yl)pent-4-en-1-amine (CID 103392152) is 4-(methoxymethyl)-5-(5-methyloxolan-2-yl)pent-4-en-1-amine.
What is the SMILES notation for 4-(methoxymethyl)-5-(5-methyloxolan-2-yl)pent-4-en-1-amine?
The canonical SMILES for 4-(methoxymethyl)-5-(5-methyloxolan-2-yl)pent-4-en-1-amine is COCC(=CC1CCC(C)O1)CCCN.
What is the InChIKey of 4-(methoxymethyl)-5-(5-methyloxolan-2-yl)pent-4-en-1-amine?
The InChIKey is KVQIODVLARXNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10-5-6-12(15-10)8-11(9-14-2)4-3-7-13/h8,10,12H,3-7,9,13H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-5-(5-methyloxolan-2-yl)pent-4-en-1-amine?
4-(methoxymethyl)-5-(5-methyloxolan-2-yl)pent-4-en-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-5-(5-methyloxolan-2-yl)pent-4-en-1-amine is sourced from PubChem (CID 103392152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).