1-(6-methyl-1,4-dioxan-2-yl)pent-4-en-2-amine

C10H19NO2 — CID 89073737

IUPAC1-(6-methyl-1,4-dioxan-2-yl)pent-4-en-2-amine
SMILESC=CCC(N)CC1COCC(C)O1
InChIInChI=1S/C10H19NO2/c1-3-4-9(11)5-10-7-12-6-8(2)13-10/h3,8-10H,1,4-7,11H2,2H3
InChIKeySZNUVDFGOYSKFY-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.08
Rot. Bonds4

About 1-(6-methyl-1,4-dioxan-2-yl)pent-4-en-2-amine

1-(6-methyl-1,4-dioxan-2-yl)pent-4-en-2-amine (PubChem CID 89073737) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(6-methyl-1,4-dioxan-2-yl)pent-4-en-2-amine.

Molecular Properties

Compound Name1-(6-methyl-1,4-dioxan-2-yl)pent-4-en-2-amine
PubChem CID89073737
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(6-methyl-1,4-dioxan-2-yl)pent-4-en-2-amine
SMILESC=CCC(N)CC1COCC(C)O1
InChIInChI=1S/C10H19NO2/c1-3-4-9(11)5-10-7-12-6-8(2)13-10/h3,8-10H,1,4-7,11H2,2H3
InChIKeySZNUVDFGOYSKFY-UHFFFAOYSA-N
XLogP1.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1,4-dioxan-2-yl)pent-4-en-2-amine?
The IUPAC name of 1-(6-methyl-1,4-dioxan-2-yl)pent-4-en-2-amine (CID 89073737) is 1-(6-methyl-1,4-dioxan-2-yl)pent-4-en-2-amine.
What is the SMILES notation for 1-(6-methyl-1,4-dioxan-2-yl)pent-4-en-2-amine?
The canonical SMILES for 1-(6-methyl-1,4-dioxan-2-yl)pent-4-en-2-amine is C=CCC(N)CC1COCC(C)O1.
What is the InChIKey of 1-(6-methyl-1,4-dioxan-2-yl)pent-4-en-2-amine?
The InChIKey is SZNUVDFGOYSKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-4-9(11)5-10-7-12-6-8(2)13-10/h3,8-10H,1,4-7,11H2,2H3.
What are the key properties of 1-(6-methyl-1,4-dioxan-2-yl)pent-4-en-2-amine?
1-(6-methyl-1,4-dioxan-2-yl)pent-4-en-2-amine has a molecular weight of 185.27 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1,4-dioxan-2-yl)pent-4-en-2-amine is sourced from PubChem (CID 89073737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).