1-(1,4-dioxan-2-yl)-3-methylidenepentan-1-amine

C10H19NO2 — CID 66038530

IUPAC1-(1,4-dioxan-2-yl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(N)C1COCCO1
InChIInChI=1S/C10H19NO2/c1-3-8(2)6-9(11)10-7-12-4-5-13-10/h9-10H,2-7,11H2,1H3
InChIKeyUMCSQBATMZAOHY-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.09
Rot. Bonds4

About 1-(1,4-dioxan-2-yl)-3-methylidenepentan-1-amine

1-(1,4-dioxan-2-yl)-3-methylidenepentan-1-amine (PubChem CID 66038530) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-3-methylidenepentan-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-3-methylidenepentan-1-amine
PubChem CID66038530
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(1,4-dioxan-2-yl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(N)C1COCCO1
InChIInChI=1S/C10H19NO2/c1-3-8(2)6-9(11)10-7-12-4-5-13-10/h9-10H,2-7,11H2,1H3
InChIKeyUMCSQBATMZAOHY-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
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

Cyclohexen-1-yl(1,4-dioxan-2-yl)methanamine
CID 62803285
Cyclopenten-1-yl(1,4-dioxan-2-yl)methanamine
CID 62803470
Cyclohepten-1-yl(1,4-dioxan-2-yl)methanamine
CID 62803653
1-(1,4-Dioxan-2-yl)hex-5-en-1-amine
CID 65352464
1-(1,4-dioxan-2-yl)-N-methylhex-5-en-1-amine
CID 65352525
1-(1,4-Dioxan-2-yl)pent-4-en-1-amine
CID 65352921
2-Ethoxy-5-methylideneheptan-3-amine
CID 66037098
1-(1,4-dioxan-2-yl)-N-methyl-3-methylidenepentan-1-amine
CID 66038531
1-(1,4-dioxan-2-yl)-N-ethyl-3-methylidenepentan-1-amine
CID 66038532
1-(1,4-dioxan-2-yl)-3-methylidene-N-propylpentan-1-amine
CID 66038766
2-Methoxy-5-methylideneheptan-3-amine
CID 79616919
1-(2-Methoxyethoxy)-5-methylideneheptan-3-amine
CID 102927882

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-3-methylidenepentan-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-3-methylidenepentan-1-amine (CID 66038530) is 1-(1,4-dioxan-2-yl)-3-methylidenepentan-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-3-methylidenepentan-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-3-methylidenepentan-1-amine is C=C(CC)CC(N)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-3-methylidenepentan-1-amine?
The InChIKey is UMCSQBATMZAOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-8(2)6-9(11)10-7-12-4-5-13-10/h9-10H,2-7,11H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-3-methylidenepentan-1-amine?
1-(1,4-dioxan-2-yl)-3-methylidenepentan-1-amine has a molecular weight of 185.27 g/mol, XLogP of 1.09, 4 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)-3-methylidenepentan-1-amine is sourced from PubChem (CID 66038530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).