2-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine

C14H25NO — CID 62064921

IUPAC2-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
SMILESC1=COC(CNCCC2CCCCC2)CC1
InChIInChI=1S/C14H25NO/c1-2-6-13(7-3-1)9-10-15-12-14-8-4-5-11-16-14/h5,11,13-15H,1-4,6-10,12H2
InChIKeyGRVRJHSSJRNUCW-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.24
Rot. Bonds5

About 2-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine

2-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine (PubChem CID 62064921) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
PubChem CID62064921
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
SMILESC1=COC(CNCCC2CCCCC2)CC1
InChIInChI=1S/C14H25NO/c1-2-6-13(7-3-1)9-10-15-12-14-8-4-5-11-16-14/h5,11,13-15H,1-4,6-10,12H2
InChIKeyGRVRJHSSJRNUCW-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
The IUPAC name of 2-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine (CID 62064921) is 2-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
The canonical SMILES for 2-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine is C1=COC(CNCCC2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
The InChIKey is GRVRJHSSJRNUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-6-13(7-3-1)9-10-15-12-14-8-4-5-11-16-14/h5,11,13-15H,1-4,6-10,12H2.
What are the key properties of 2-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
2-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine has a molecular weight of 223.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine is sourced from PubChem (CID 62064921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).