2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine

C14H25NO — CID 115741812

IUPAC2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
SMILESC1=C(CNCCC2CCCCC2)COCC1
InChIInChI=1S/C14H25NO/c1-2-5-13(6-3-1)8-9-15-11-14-7-4-10-16-12-14/h7,13,15H,1-6,8-12H2
InChIKeyTWSCSIWLSMHICX-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds5

About 2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine

2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine (PubChem CID 115741812) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
PubChem CID115741812
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
SMILESC1=C(CNCCC2CCCCC2)COCC1
InChIInChI=1S/C14H25NO/c1-2-5-13(6-3-1)8-9-15-11-14-7-4-10-16-12-14/h7,13,15H,1-6,8-12H2
InChIKeyTWSCSIWLSMHICX-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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)-4-methylcyclohexan-1-amine
CID 103816300
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3,4-dimethylcyclohexan-1-amine
CID 104588469
2-cyclohexyl-N-ethyl-5-methoxy-4-methylpent-2-en-1-amine
CID 104881857
3-cyclohexyl-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)propan-1-ol
CID 109897134
4-(Cyclohexylmethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404597
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclohexan-1-amine
CID 115674331
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1,4-dimethylcyclohexan-1-amine
CID 115674415
2-(cyclohexen-1-yl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115741718
N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-2-amine
CID 115741719
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 115741729
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine
CID 115741730
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclooctanamine
CID 115741738

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
The IUPAC name of 2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine (CID 115741812) is 2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
The canonical SMILES for 2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine is C1=C(CNCCC2CCCCC2)COCC1.
What is the InChIKey of 2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
The InChIKey is TWSCSIWLSMHICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-5-13(6-3-1)8-9-15-11-14-7-4-10-16-12-14/h7,13,15H,1-6,8-12H2.
What are the key properties of 2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine is sourced from PubChem (CID 115741812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).