2-(cyclohexen-1-yl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine

C14H23NO — CID 115741718

IUPAC2-(cyclohexen-1-yl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
SMILESC1=C(CCNCC2=CCCOC2)CCCC1
InChIInChI=1S/C14H23NO/c1-2-5-13(6-3-1)8-9-15-11-14-7-4-10-16-12-14/h5,7,15H,1-4,6,8-12H2
InChIKeyQAMFJVGVALEPQI-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.81
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine

2-(cyclohexen-1-yl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine (PubChem CID 115741718) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
PubChem CID115741718
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(cyclohexen-1-yl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
SMILESC1=C(CCNCC2=CCCOC2)CCCC1
InChIInChI=1S/C14H23NO/c1-2-5-13(6-3-1)8-9-15-11-14-7-4-10-16-12-14/h5,7,15H,1-4,6,8-12H2
InChIKeyQAMFJVGVALEPQI-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5,5,5-trifluoropentan-1-amine
CID 115757862
N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropan-1-amine
CID 62326173
N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 65175115
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(oxan-2-yl)ethanamine
CID 103992783
(3E)-3-(2-ethoxyethylidene)piperidine
CID 115012070
N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine
CID 115674325
N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-2-amine
CID 115741719
N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-2-amine
CID 115741720
N-(3,6-dihydro-2H-pyran-5-ylmethyl)butan-1-amine
CID 115741734
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopentanamine
CID 115741736
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclooctanamine
CID 115741738
N-(3,6-dihydro-2H-pyran-5-ylmethyl)heptan-2-amine
CID 115741741

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine (CID 115741718) is 2-(cyclohexen-1-yl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine is C1=C(CCNCC2=CCCOC2)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
The InChIKey is QAMFJVGVALEPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-5-13(6-3-1)8-9-15-11-14-7-4-10-16-12-14/h5,7,15H,1-4,6,8-12H2.
What are the key properties of 2-(cyclohexen-1-yl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
2-(cyclohexen-1-yl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine has a molecular weight of 221.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine is sourced from PubChem (CID 115741718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).