1-(1,4-dioxan-2-yl)hex-5-en-1-amine

C10H19NO2 — CID 65352464

IUPAC1-(1,4-dioxan-2-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1COCCO1
InChIInChI=1S/C10H19NO2/c1-2-3-4-5-9(11)10-8-12-6-7-13-10/h2,9-10H,1,3-8,11H2
InChIKeyHBWHAPBHGFMLEE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.09
Rot. Bonds5

About 1-(1,4-dioxan-2-yl)hex-5-en-1-amine

1-(1,4-dioxan-2-yl)hex-5-en-1-amine (PubChem CID 65352464) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)hex-5-en-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)hex-5-en-1-amine
PubChem CID65352464
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(1,4-dioxan-2-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1COCCO1
InChIInChI=1S/C10H19NO2/c1-2-3-4-5-9(11)10-8-12-6-7-13-10/h2,9-10H,1,3-8,11H2
InChIKeyHBWHAPBHGFMLEE-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine
CID 59552180
azane;(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine
CID 67095695
1-(6-Methyl-1,4-dioxan-2-yl)pent-4-en-2-amine
CID 89073737
1,4-Dimethoxyoct-7-en-2-amine
CID 170982886
2-Ethoxyoct-7-en-3-amine
CID 64542187
1-(1,4-dioxan-2-yl)-N-methylhex-5-en-1-amine
CID 65352525
1-(1,4-dioxan-2-yl)-N-ethylhex-5-en-1-amine
CID 65352742
1-(1,4-Dioxan-2-yl)pent-4-en-1-amine
CID 65352921
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)-N-propylhex-5-en-1-amine
CID 65353004
1-(1,4-Dioxan-2-yl)-3-methylidenepentan-1-amine
CID 66038530

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)hex-5-en-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)hex-5-en-1-amine (CID 65352464) is 1-(1,4-dioxan-2-yl)hex-5-en-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)hex-5-en-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)hex-5-en-1-amine is C=CCCCC(N)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)hex-5-en-1-amine?
The InChIKey is HBWHAPBHGFMLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-4-5-9(11)10-8-12-6-7-13-10/h2,9-10H,1,3-8,11H2.
What are the key properties of 1-(1,4-dioxan-2-yl)hex-5-en-1-amine?
1-(1,4-dioxan-2-yl)hex-5-en-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 1-(1,4-dioxan-2-yl)hex-5-en-1-amine is sourced from PubChem (CID 65352464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).