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

C13H25NO2 — CID 65353004

IUPAC1-(1,4-dioxan-2-yl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)C1COCCO1
InChIInChI=1S/C13H25NO2/c1-3-5-6-7-12(14-8-4-2)13-11-15-9-10-16-13/h3,12-14H,1,4-11H2,2H3
InChIKeyHITOUQQKHPFWER-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.13
Rot. Bonds8

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

1-(1,4-dioxan-2-yl)-N-propylhex-5-en-1-amine (PubChem CID 65353004) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-propylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-propylhex-5-en-1-amine
PubChem CID65353004
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(1,4-dioxan-2-yl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)C1COCCO1
InChIInChI=1S/C13H25NO2/c1-3-5-6-7-12(14-8-4-2)13-11-15-9-10-16-13/h3,12-14H,1,4-11H2,2H3
InChIKeyHITOUQQKHPFWER-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.13
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

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-propylhex-5-en-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-propylhex-5-en-1-amine (CID 65353004) is 1-(1,4-dioxan-2-yl)-N-propylhex-5-en-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-propylhex-5-en-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-propylhex-5-en-1-amine is C=CCCCC(NCCC)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-propylhex-5-en-1-amine?
The InChIKey is HITOUQQKHPFWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-5-6-7-12(14-8-4-2)13-11-15-9-10-16-13/h3,12-14H,1,4-11H2,2H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-propylhex-5-en-1-amine?
1-(1,4-dioxan-2-yl)-N-propylhex-5-en-1-amine has a molecular weight of 227.35 g/mol, XLogP of 2.13, 8 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-propylhex-5-en-1-amine is sourced from PubChem (CID 65353004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).