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

C12H23NO2 — CID 65352742

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

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

1-(1,4-dioxan-2-yl)-N-ethylhex-5-en-1-amine (PubChem CID 65352742) 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-ethylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-ethylhex-5-en-1-amine
PubChem CID65352742
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(1,4-dioxan-2-yl)-N-ethylhex-5-en-1-amine
SMILESC=CCCCC(NCC)C1COCCO1
InChIInChI=1S/C12H23NO2/c1-3-5-6-7-11(13-4-2)12-10-14-8-9-15-12/h3,11-13H,1,4-10H2,2H3
InChIKeyATVYDVDMKNPOPP-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(1,4-dioxan-2-yl)-N-ethylhex-5-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[cyclohepten-1-yl(1,4-dioxan-2-yl)methyl]ethanamine
CID 55119665
N-[cyclohexen-1-yl(1,4-dioxan-2-yl)methyl]ethanamine
CID 62803287
N-[cyclohexen-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 62803288
N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]ethanamine
CID 62803472
N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 62803473
2-ethyl-N-[2-(2-methoxyethoxy)ethyl]oxan-4-amine
CID 64101055
N-(oxan-2-ylmethyl)pent-4-en-1-amine
CID 64313743
2-ethoxy-N-methyloct-7-en-3-amine
CID 64532987
2-ethoxy-N-ethyloct-7-en-3-amine
CID 64533801
2-ethoxy-N-propyloct-7-en-3-amine
CID 64535230
1-(1,4-dioxan-2-yl)-N-methylbut-3-en-1-amine
CID 65352217
1-(1,4-dioxan-2-yl)-N-ethylpent-4-en-1-amine
CID 65352435

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-ethylhex-5-en-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-ethylhex-5-en-1-amine (CID 65352742) is 1-(1,4-dioxan-2-yl)-N-ethylhex-5-en-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-ethylhex-5-en-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-ethylhex-5-en-1-amine is C=CCCCC(NCC)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-ethylhex-5-en-1-amine?
The InChIKey is ATVYDVDMKNPOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-5-6-7-11(13-4-2)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-ethylhex-5-en-1-amine?
1-(1,4-dioxan-2-yl)-N-ethylhex-5-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-ethylhex-5-en-1-amine is sourced from PubChem (CID 65352742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).