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

C12H23NO2 — CID 65352651

IUPAC1-(1,4-dioxan-2-yl)-N-propylpent-4-en-1-amine
SMILESC=CCCC(NCCC)C1COCCO1
InChIInChI=1S/C12H23NO2/c1-3-5-6-11(13-7-4-2)12-10-14-8-9-15-12/h3,11-13H,1,4-10H2,2H3
InChIKeyHUKVFBYCSRBGKK-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.74
Rot. Bonds7

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

1-(1,4-dioxan-2-yl)-N-propylpent-4-en-1-amine (PubChem CID 65352651) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-propylpent-4-en-1-amine
PubChem CID65352651
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(1,4-dioxan-2-yl)-N-propylpent-4-en-1-amine
SMILESC=CCCC(NCCC)C1COCCO1
InChIInChI=1S/C12H23NO2/c1-3-5-6-11(13-7-4-2)12-10-14-8-9-15-12/h3,11-13H,1,4-10H2,2H3
InChIKeyHUKVFBYCSRBGKK-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.74
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

N-(oxan-2-ylmethyl)but-3-en-1-amine
CID 64313742
1-(6-Methyl-1,4-dioxan-2-yl)pent-4-en-2-amine
CID 89073737
2,3-Bis(prop-2-enyl)morpholine
CID 118117583
N-(3,4-dihydro-2H-pyran-2-ylmethyl)oxan-4-amine
CID 62064380
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 62065784
2-(oxan-2-ylmethoxy)-N-prop-2-enylpropan-1-amine
CID 62567685
N-[2-(2-methoxyethoxy)ethyl]-2-methyloxan-4-amine
CID 64101056
N-ethyl-1-propoxyhept-6-en-2-amine
CID 64299166
1-propoxy-N-propylhept-6-en-2-amine
CID 64299168
2-(Pent-4-enoxymethyl)piperidine
CID 64313138
N-(oxan-2-ylmethyl)pent-4-en-1-amine
CID 64313743
N-(2-cyclohexyloxyethyl)pent-4-en-1-amine
CID 64314221

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-propylpent-4-en-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-propylpent-4-en-1-amine (CID 65352651) is 1-(1,4-dioxan-2-yl)-N-propylpent-4-en-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-propylpent-4-en-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-propylpent-4-en-1-amine is C=CCCC(NCCC)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-propylpent-4-en-1-amine?
The InChIKey is HUKVFBYCSRBGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-5-6-11(13-7-4-2)12-10-14-8-9-15-12/h3,11-13H,1,4-10H2,2H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-propylpent-4-en-1-amine?
1-(1,4-dioxan-2-yl)-N-propylpent-4-en-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.74, 7 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-propylpent-4-en-1-amine is sourced from PubChem (CID 65352651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).