N-cyclohex-3-en-1-yl-1,4-dioxepan-6-amine

C11H19NO2 — CID 130559516

IUPACN-cyclohex-3-en-1-yl-1,4-dioxepan-6-amine
SMILESC1=CCC(NC2COCCOC2)CC1
InChIInChI=1S/C11H19NO2/c1-2-4-10(5-3-1)12-11-8-13-6-7-14-9-11/h1-2,10-12H,3-9H2
InChIKeyAOUBEGVFCSLHIA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.10
Rot. Bonds2

About N-cyclohex-3-en-1-yl-1,4-dioxepan-6-amine

N-cyclohex-3-en-1-yl-1,4-dioxepan-6-amine (PubChem CID 130559516) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-1,4-dioxepan-6-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-1,4-dioxepan-6-amine
PubChem CID130559516
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-cyclohex-3-en-1-yl-1,4-dioxepan-6-amine
SMILESC1=CCC(NC2COCCOC2)CC1
InChIInChI=1S/C11H19NO2/c1-2-4-10(5-3-1)12-11-8-13-6-7-14-9-11/h1-2,10-12H,3-9H2
InChIKeyAOUBEGVFCSLHIA-UHFFFAOYSA-N
XLogP1.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-1,4-dioxepan-6-amine?
The IUPAC name of N-cyclohex-3-en-1-yl-1,4-dioxepan-6-amine (CID 130559516) is N-cyclohex-3-en-1-yl-1,4-dioxepan-6-amine.
What is the SMILES notation for N-cyclohex-3-en-1-yl-1,4-dioxepan-6-amine?
The canonical SMILES for N-cyclohex-3-en-1-yl-1,4-dioxepan-6-amine is C1=CCC(NC2COCCOC2)CC1.
What is the InChIKey of N-cyclohex-3-en-1-yl-1,4-dioxepan-6-amine?
The InChIKey is AOUBEGVFCSLHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-4-10(5-3-1)12-11-8-13-6-7-14-9-11/h1-2,10-12H,3-9H2.
What are the key properties of N-cyclohex-3-en-1-yl-1,4-dioxepan-6-amine?
N-cyclohex-3-en-1-yl-1,4-dioxepan-6-amine has a molecular weight of 197.28 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-1,4-dioxepan-6-amine is sourced from PubChem (CID 130559516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).