1-(1,4-dioxan-2-yl)-N-propylundecan-1-amine

C18H37NO2 — CID 65352894

IUPAC1-(1,4-dioxan-2-yl)-N-propylundecan-1-amine
SMILESCCCCCCCCCCC(NCCC)C1COCCO1
InChIInChI=1S/C18H37NO2/c1-3-5-6-7-8-9-10-11-12-17(19-13-4-2)18-16-20-14-15-21-18/h17-19H,3-16H2,1-2H3
InChIKeyUXDHEYAESGVCDF-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.30
Rot. Bonds13

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

1-(1,4-dioxan-2-yl)-N-propylundecan-1-amine (PubChem CID 65352894) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-propylundecan-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-propylundecan-1-amine
PubChem CID65352894
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name1-(1,4-dioxan-2-yl)-N-propylundecan-1-amine
SMILESCCCCCCCCCCC(NCCC)C1COCCO1
InChIInChI=1S/C18H37NO2/c1-3-5-6-7-8-9-10-11-12-17(19-13-4-2)18-16-20-14-15-21-18/h17-19H,3-16H2,1-2H3
InChIKeyUXDHEYAESGVCDF-UHFFFAOYSA-N
XLogP4.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,4-dioxan-2-yl)-N-methylheptan-1-amine
CID 65352208
1-(oxolan-2-yl)-N-propylnonan-1-amine
CID 65328476
1-(1,4-dioxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 65352692
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
1-(3-methyloxan-4-yl)-N-propylheptan-1-amine
CID 114241913
1-(1,4-dioxan-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 65352947
1-cyclopropyl-N-propyltridecan-1-amine
CID 63413531
N-[1-(1,4-dioxan-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 115824336
N-[2-(5-bromothiophen-2-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352843
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983
1-cyclobutyl-N-propyldodecan-1-amine
CID 105049365
1-(2-methylcyclopropyl)-N-propylundecan-1-amine
CID 65419339

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-propylundecan-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-propylundecan-1-amine (CID 65352894) is 1-(1,4-dioxan-2-yl)-N-propylundecan-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-propylundecan-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-propylundecan-1-amine is CCCCCCCCCCC(NCCC)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-propylundecan-1-amine?
The InChIKey is UXDHEYAESGVCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-3-5-6-7-8-9-10-11-12-17(19-13-4-2)18-16-20-14-15-21-18/h17-19H,3-16H2,1-2H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-propylundecan-1-amine?
1-(1,4-dioxan-2-yl)-N-propylundecan-1-amine has a molecular weight of 299.50 g/mol, XLogP of 4.30, 13 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-propylundecan-1-amine is sourced from PubChem (CID 65352894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).