N-[2-(cyclohexen-1-yl)ethyl]oxan-4-amine

C13H23NO — CID 43608459

IUPACN-[2-(cyclohexen-1-yl)ethyl]oxan-4-amine
SMILESC1=C(CCNC2CCOCC2)CCCC1
InChIInChI=1S/C13H23NO/c1-2-4-12(5-3-1)6-9-14-13-7-10-15-11-8-13/h4,13-14H,1-3,5-11H2
InChIKeyHABJPQMDJNTNTC-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.65
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]oxan-4-amine

N-[2-(cyclohexen-1-yl)ethyl]oxan-4-amine (PubChem CID 43608459) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]oxan-4-amine
PubChem CID43608459
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]oxan-4-amine
SMILESC1=C(CCNC2CCOCC2)CCCC1
InChIInChI=1S/C13H23NO/c1-2-4-12(5-3-1)6-9-14-13-7-10-15-11-8-13/h4,13-14H,1-3,5-11H2
InChIKeyHABJPQMDJNTNTC-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2-(cyclohexen-1-yl)ethyl]oxan-4-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]oxan-4-amine (CID 43608459) is N-[2-(cyclohexen-1-yl)ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]oxan-4-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]oxan-4-amine is C1=C(CCNC2CCOCC2)CCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]oxan-4-amine?
The InChIKey is HABJPQMDJNTNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-4-12(5-3-1)6-9-14-13-7-10-15-11-8-13/h4,13-14H,1-3,5-11H2.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]oxan-4-amine?
N-[2-(cyclohexen-1-yl)ethyl]oxan-4-amine has a molecular weight of 209.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 43608459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).