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

C9H17NO2 — CID 65352921

IUPAC1-(1,4-dioxan-2-yl)pent-4-en-1-amine
SMILESC=CCCC(N)C1COCCO1
InChIInChI=1S/C9H17NO2/c1-2-3-4-8(10)9-7-11-5-6-12-9/h2,8-9H,1,3-7,10H2
InChIKeyHROIUEKSTJGGAK-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.70
Rot. Bonds4

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

1-(1,4-dioxan-2-yl)pent-4-en-1-amine (PubChem CID 65352921) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)pent-4-en-1-amine
PubChem CID65352921
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(1,4-dioxan-2-yl)pent-4-en-1-amine
SMILESC=CCCC(N)C1COCCO1
InChIInChI=1S/C9H17NO2/c1-2-3-4-8(10)9-7-11-5-6-12-9/h2,8-9H,1,3-7,10H2
InChIKeyHROIUEKSTJGGAK-UHFFFAOYSA-N
XLogP0.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.70
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-Ethoxyhept-6-en-3-amine
CID 64540277
1-(1,4-dioxan-2-yl)-N-ethylpent-4-en-1-amine
CID 65352435
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)-N-propylpent-4-en-1-amine
CID 65352651
1-(1,4-Dioxan-2-yl)but-3-en-1-amine
CID 65352924
1-(1,4-dioxan-2-yl)-N-methylpent-4-en-1-amine
CID 65352985
1-(1,4-Dioxan-2-yl)-3-methylidenepentan-1-amine
CID 66038530
1-(2-Methoxyethoxy)hept-6-en-3-amine
CID 102927819
2-Pent-4-enoxycyclohexan-1-amine
CID 104285327
1-(Oxan-2-yl)hex-5-en-1-amine
CID 104987056

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)pent-4-en-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)pent-4-en-1-amine (CID 65352921) is 1-(1,4-dioxan-2-yl)pent-4-en-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)pent-4-en-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)pent-4-en-1-amine is C=CCCC(N)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)pent-4-en-1-amine?
The InChIKey is HROIUEKSTJGGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-4-8(10)9-7-11-5-6-12-9/h2,8-9H,1,3-7,10H2.
What are the key properties of 1-(1,4-dioxan-2-yl)pent-4-en-1-amine?
1-(1,4-dioxan-2-yl)pent-4-en-1-amine has a molecular weight of 171.24 g/mol, XLogP of 0.70, 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)pent-4-en-1-amine is sourced from PubChem (CID 65352921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).