2-cyclohex-2-en-1-yloxycycloheptan-1-amine

C13H23NO — CID 114620343

IUPAC2-cyclohex-2-en-1-yloxycycloheptan-1-amine
SMILESNC1CCCCCC1OC1C=CCCC1
InChIInChI=1S/C13H23NO/c14-12-9-5-2-6-10-13(12)15-11-7-3-1-4-8-11/h3,7,11-13H,1-2,4-6,8-10,14H2
InChIKeyWCRIRLYVBZEKPM-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.77
Rot. Bonds2

About 2-cyclohex-2-en-1-yloxycycloheptan-1-amine

2-cyclohex-2-en-1-yloxycycloheptan-1-amine (PubChem CID 114620343) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yloxycycloheptan-1-amine.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yloxycycloheptan-1-amine
PubChem CID114620343
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-cyclohex-2-en-1-yloxycycloheptan-1-amine
SMILESNC1CCCCCC1OC1C=CCCC1
InChIInChI=1S/C13H23NO/c14-12-9-5-2-6-10-13(12)15-11-7-3-1-4-8-11/h3,7,11-13H,1-2,4-6,8-10,14H2
InChIKeyWCRIRLYVBZEKPM-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-oct-1-enyl]oxan-3-amine
CID 21753848
2-[(E)-non-1-enyl]oxan-3-amine
CID 21753887
2-Cyclooct-2-en-1-yloxyethanamine
CID 123280115
2-[(2Z)-cyclooct-2-en-1-yl]oxyethanamine
CID 133623349
(3R,6R)-6-[(Z)-but-2-en-2-yl]oxan-3-amine
CID 173844489
(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-amine
CID 55289448
3-(Propan-2-yloxymethyl)cyclohex-2-en-1-amine
CID 79568783
2-[(E)-but-2-enoxy]cycloheptan-1-amine
CID 104284610
2-Pent-4-enoxycycloheptan-1-amine
CID 104284683
2-Prop-2-enoxycycloheptan-1-amine
CID 104284702
2-But-3-en-2-yloxycycloheptan-1-amine
CID 104284829
2-Hept-6-enoxycycloheptan-1-amine
CID 107007744

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-yloxycycloheptan-1-amine?
The IUPAC name of 2-cyclohex-2-en-1-yloxycycloheptan-1-amine (CID 114620343) is 2-cyclohex-2-en-1-yloxycycloheptan-1-amine.
What is the SMILES notation for 2-cyclohex-2-en-1-yloxycycloheptan-1-amine?
The canonical SMILES for 2-cyclohex-2-en-1-yloxycycloheptan-1-amine is NC1CCCCCC1OC1C=CCCC1.
What is the InChIKey of 2-cyclohex-2-en-1-yloxycycloheptan-1-amine?
The InChIKey is WCRIRLYVBZEKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c14-12-9-5-2-6-10-13(12)15-11-7-3-1-4-8-11/h3,7,11-13H,1-2,4-6,8-10,14H2.
What are the key properties of 2-cyclohex-2-en-1-yloxycycloheptan-1-amine?
2-cyclohex-2-en-1-yloxycycloheptan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yloxycycloheptan-1-amine is sourced from PubChem (CID 114620343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).