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

C11H21NO2 — CID 65352525

IUPAC1-(1,4-dioxan-2-yl)-N-methylhex-5-en-1-amine
SMILESC=CCCCC(NC)C1COCCO1
InChIInChI=1S/C11H21NO2/c1-3-4-5-6-10(12-2)11-9-13-7-8-14-11/h3,10-12H,1,4-9H2,2H3
InChIKeyAWLIAYPAXBWVKO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.35
Rot. Bonds6

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

1-(1,4-dioxan-2-yl)-N-methylhex-5-en-1-amine (PubChem CID 65352525) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-methylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-methylhex-5-en-1-amine
PubChem CID65352525
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(1,4-dioxan-2-yl)-N-methylhex-5-en-1-amine
SMILESC=CCCCC(NC)C1COCCO1
InChIInChI=1S/C11H21NO2/c1-3-4-5-6-10(12-2)11-9-13-7-8-14-11/h3,10-12H,1,4-9H2,2H3
InChIKeyAWLIAYPAXBWVKO-UHFFFAOYSA-N
XLogP1.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.35
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

1-(cyclohexen-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62803286
1-(cyclopenten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62803471
1-(cyclohepten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62803654
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-methylpentan-1-amine
CID 65352415
1-(1,4-dioxan-2-yl)-N-ethylpent-4-en-1-amine
CID 65352435
1-(1,4-Dioxan-2-yl)hex-5-en-1-amine
CID 65352464
1-(1,4-dioxan-2-yl)-N-ethylbut-3-en-1-amine
CID 65352488
1-(1,4-dioxan-2-yl)-N-propylpent-4-en-1-amine
CID 65352651

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-methylhex-5-en-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-methylhex-5-en-1-amine (CID 65352525) is 1-(1,4-dioxan-2-yl)-N-methylhex-5-en-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-methylhex-5-en-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-methylhex-5-en-1-amine is C=CCCCC(NC)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-methylhex-5-en-1-amine?
The InChIKey is AWLIAYPAXBWVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-5-6-10(12-2)11-9-13-7-8-14-11/h3,10-12H,1,4-9H2,2H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-methylhex-5-en-1-amine?
1-(1,4-dioxan-2-yl)-N-methylhex-5-en-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.35, 6 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-methylhex-5-en-1-amine is sourced from PubChem (CID 65352525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).