N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclohexanamine

C13H23NO — CID 115763783

IUPACN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclohexanamine
SMILESC1=C(CCNC2CCCCC2)CCOC1
InChIInChI=1S/C13H23NO/c1-2-4-13(5-3-1)14-9-6-12-7-10-15-11-8-12/h7,13-14H,1-6,8-11H2
InChIKeyMMISXGQCOKIPQN-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.65
Rot. Bonds4

About N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclohexanamine

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclohexanamine (PubChem CID 115763783) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclohexanamine
PubChem CID115763783
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclohexanamine
SMILESC1=C(CCNC2CCCCC2)CCOC1
InChIInChI=1S/C13H23NO/c1-2-4-13(5-3-1)14-9-6-12-7-10-15-11-8-12/h7,13-14H,1-6,8-11H2
InChIKeyMMISXGQCOKIPQN-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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Related Compounds

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 115896002
N-Cyclohexyl-4-methyl-3,6-dihydro-2H-pyran-3-amine
CID 13530832
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclobutanamine
CID 104005710
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]hex-5-en-2-amine
CID 104583559
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohexanamine
CID 115741763
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methoxypentan-1-amine
CID 115741936
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohex-2-en-1-amine
CID 115742302
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine
CID 115763581
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methoxypropan-2-amine
CID 115763582
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-ethylbutan-1-amine
CID 115763768
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methylcyclohexan-1-amine
CID 115763771
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclopentanamine
CID 115763772

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclohexanamine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclohexanamine (CID 115763783) is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclohexanamine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclohexanamine is C1=C(CCNC2CCCCC2)CCOC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclohexanamine?
The InChIKey is MMISXGQCOKIPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-4-13(5-3-1)14-9-6-12-7-10-15-11-8-12/h7,13-14H,1-6,8-11H2.
What are the key properties of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclohexanamine?
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclohexanamine 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-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclohexanamine is sourced from PubChem (CID 115763783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).