1-(1,4-dioxan-2-yl)-N-methylpent-4-en-1-amine

C10H19NO2 — CID 65352985

IUPAC1-(1,4-dioxan-2-yl)-N-methylpent-4-en-1-amine
SMILESC=CCCC(NC)C1COCCO1
InChIInChI=1S/C10H19NO2/c1-3-4-5-9(11-2)10-8-12-6-7-13-10/h3,9-11H,1,4-8H2,2H3
InChIKeyZCQUONCQYRJEQQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.96
Rot. Bonds5

About 1-(1,4-dioxan-2-yl)-N-methylpent-4-en-1-amine

1-(1,4-dioxan-2-yl)-N-methylpent-4-en-1-amine (PubChem CID 65352985) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-methylpent-4-en-1-amine
PubChem CID65352985
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(1,4-dioxan-2-yl)-N-methylpent-4-en-1-amine
SMILESC=CCCC(NC)C1COCCO1
InChIInChI=1S/C10H19NO2/c1-3-4-5-9(11-2)10-8-12-6-7-13-10/h3,9-11H,1,4-8H2,2H3
InChIKeyZCQUONCQYRJEQQ-UHFFFAOYSA-N
XLogP0.96
TPSA30.49 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 ≤ 50.96
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

1-(6-Methyl-1,4-dioxan-2-yl)pent-4-en-2-amine
CID 89073737
2-(oxan-2-ylmethoxy)-N-prop-2-enylpropan-1-amine
CID 62567685
N-methyl-1-propoxyhept-6-en-2-amine
CID 64299164
N-(oxan-2-ylmethyl)pent-4-en-1-amine
CID 64313743
N-(1,4-dioxan-2-ylmethyl)pent-4-en-1-amine
CID 64314878
2-ethoxy-N-methyloct-7-en-3-amine
CID 64532987
2-ethoxy-N-propylhept-6-en-3-amine
CID 64533204
2-ethoxy-N-ethyloct-7-en-3-amine
CID 64533801
2-ethoxy-N-ethylhept-6-en-3-amine
CID 64535214
2-ethoxy-N-propyloct-7-en-3-amine
CID 64535230
2-ethoxy-N-methylhept-6-en-3-amine
CID 64540063
1-(1,4-dioxan-2-yl)-N-methylbut-3-en-1-amine
CID 65352217

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-methylpent-4-en-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-methylpent-4-en-1-amine (CID 65352985) is 1-(1,4-dioxan-2-yl)-N-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-methylpent-4-en-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-methylpent-4-en-1-amine is C=CCCC(NC)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-methylpent-4-en-1-amine?
The InChIKey is ZCQUONCQYRJEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-4-5-9(11-2)10-8-12-6-7-13-10/h3,9-11H,1,4-8H2,2H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-methylpent-4-en-1-amine?
1-(1,4-dioxan-2-yl)-N-methylpent-4-en-1-amine has a molecular weight of 185.27 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-methylpent-4-en-1-amine is sourced from PubChem (CID 65352985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).