5-methoxy-4-(oxolan-3-ylidene)pentan-1-amine

C10H19NO2 — CID 103392117

IUPAC5-methoxy-4-(oxolan-3-ylidene)pentan-1-amine
SMILESCOCC(CCCN)=C1CCOC1
InChIInChI=1S/C10H19NO2/c1-12-7-9(3-2-5-11)10-4-6-13-8-10/h2-8,11H2,1H3
InChIKeyUKCVLULLFGJDSJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.09
Rot. Bonds5

About 5-methoxy-4-(oxolan-3-ylidene)pentan-1-amine

5-methoxy-4-(oxolan-3-ylidene)pentan-1-amine (PubChem CID 103392117) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 5-methoxy-4-(oxolan-3-ylidene)pentan-1-amine.

Molecular Properties

Compound Name5-methoxy-4-(oxolan-3-ylidene)pentan-1-amine
PubChem CID103392117
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name5-methoxy-4-(oxolan-3-ylidene)pentan-1-amine
SMILESCOCC(CCCN)=C1CCOC1
InChIInChI=1S/C10H19NO2/c1-12-7-9(3-2-5-11)10-4-6-13-8-10/h2-8,11H2,1H3
InChIKeyUKCVLULLFGJDSJ-UHFFFAOYSA-N
XLogP1.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.09
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

4-(Methoxymethyl)hex-4-en-1-amine
CID 103392067
(Z)-4-(methoxymethyl)non-4-en-1-amine
CID 103392070
4-(Methoxymethyl)-5-(oxolan-2-yl)pent-4-en-1-amine
CID 103392075
(Z)-4-(methoxymethyl)oct-4-en-1-amine
CID 103392097
4-Cyclohexylidene-5-methoxypentan-1-amine
CID 103392100
(Z)-4-(methoxymethyl)hept-4-en-1-amine
CID 103392129
6-Methoxy-4-(methoxymethyl)-5-methylhex-4-en-1-amine
CID 103392147
4-(Methoxymethyl)-5-(5-methyloxolan-2-yl)pent-4-en-1-amine
CID 103392152
4-(Methoxymethyl)-5-methylhex-4-en-1-amine
CID 103392156
5-Ethyl-4-(methoxymethyl)hept-4-en-1-amine
CID 103392183
4-(Methoxymethyl)-6-(oxolan-2-yl)hex-4-en-1-amine
CID 103392192
4-Cyclopentylidene-5-methoxypentan-1-amine
CID 103392200

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(oxolan-3-ylidene)pentan-1-amine?
The IUPAC name of 5-methoxy-4-(oxolan-3-ylidene)pentan-1-amine (CID 103392117) is 5-methoxy-4-(oxolan-3-ylidene)pentan-1-amine.
What is the SMILES notation for 5-methoxy-4-(oxolan-3-ylidene)pentan-1-amine?
The canonical SMILES for 5-methoxy-4-(oxolan-3-ylidene)pentan-1-amine is COCC(CCCN)=C1CCOC1.
What is the InChIKey of 5-methoxy-4-(oxolan-3-ylidene)pentan-1-amine?
The InChIKey is UKCVLULLFGJDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-12-7-9(3-2-5-11)10-4-6-13-8-10/h2-8,11H2,1H3.
What are the key properties of 5-methoxy-4-(oxolan-3-ylidene)pentan-1-amine?
5-methoxy-4-(oxolan-3-ylidene)pentan-1-amine has a molecular weight of 185.27 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(oxolan-3-ylidene)pentan-1-amine is sourced from PubChem (CID 103392117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).