N-(1,4-dioxan-2-ylmethyl)cyclohex-2-en-1-amine

C11H19NO2 — CID 107906675

IUPACN-(1,4-dioxan-2-ylmethyl)cyclohex-2-en-1-amine
SMILESC1=CC(NCC2COCCO2)CCC1
InChIInChI=1S/C11H19NO2/c1-2-4-10(5-3-1)12-8-11-9-13-6-7-14-11/h2,4,10-12H,1,3,5-9H2
InChIKeyXAMQAYNBJCUTOS-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.10
Rot. Bonds3

About N-(1,4-dioxan-2-ylmethyl)cyclohex-2-en-1-amine

N-(1,4-dioxan-2-ylmethyl)cyclohex-2-en-1-amine (PubChem CID 107906675) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)cyclohex-2-en-1-amine
PubChem CID107906675
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(1,4-dioxan-2-ylmethyl)cyclohex-2-en-1-amine
SMILESC1=CC(NCC2COCCO2)CCC1
InChIInChI=1S/C11H19NO2/c1-2-4-10(5-3-1)12-8-11-9-13-6-7-14-11/h2,4,10-12H,1,3,5-9H2
InChIKeyXAMQAYNBJCUTOS-UHFFFAOYSA-N
XLogP1.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.10
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-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine
CID 107906466
trans-(1S,2S)-2-(1,4-dioxan-2-ylmethylamino)cyclopentan-1-ol
CID 102733169
N-(1,4-dioxan-2-ylmethyl)oxepan-4-amine
CID 65081559
N-(1,4-dioxan-2-ylmethyl)-4-methylcycloheptan-1-amine
CID 65080084
N-(1,4-dioxan-2-ylmethyl)-2-methyloxolan-3-amine
CID 115336009
N-(1,4-dioxan-2-ylmethyl)-1-ethylpiperidin-4-amine
CID 61025093
N-(1,4-dioxan-2-ylmethyl)hydroxylamine
CID 88551230
4-(1,4-dioxan-2-ylmethylamino)-1,1-dioxothiolan-3-ol
CID 61023571
4-(cyclohex-2-en-1-ylamino)oxolan-3-ol
CID 130719542
N-(1,4-dioxan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 61241579
N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543757
N-(1,4-dioxan-2-ylmethyl)-2-piperidin-2-ylcyclopentan-1-amine
CID 79544945

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)cyclohex-2-en-1-amine (CID 107906675) is N-(1,4-dioxan-2-ylmethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)cyclohex-2-en-1-amine is C1=CC(NCC2COCCO2)CCC1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)cyclohex-2-en-1-amine?
The InChIKey is XAMQAYNBJCUTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-4-10(5-3-1)12-8-11-9-13-6-7-14-11/h2,4,10-12H,1,3,5-9H2.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)cyclohex-2-en-1-amine?
N-(1,4-dioxan-2-ylmethyl)cyclohex-2-en-1-amine has a molecular weight of 197.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 107906675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).