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

C13H23NO — CID 115741804

IUPAC2-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
SMILESC1=C(CNCCC2CCCC2)COCC1
InChIInChI=1S/C13H23NO/c1-2-5-12(4-1)7-8-14-10-13-6-3-9-15-11-13/h6,12,14H,1-5,7-11H2
InChIKeyUPTPIGMJKGYMIG-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.50
Rot. Bonds5

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

2-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine (PubChem CID 115741804) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
PubChem CID115741804
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
SMILESC1=C(CNCCC2CCCC2)COCC1
InChIInChI=1S/C13H23NO/c1-2-5-12(4-1)7-8-14-10-13-6-3-9-15-11-13/h6,12,14H,1-5,7-11H2
InChIKeyUPTPIGMJKGYMIG-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.50
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
4-(2-Ethylhexoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404541
4-(Cyclopentylmethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404626
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)-6-methylheptan-2-amine
CID 115741730
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopentanamine
CID 115741736
N-(3,6-dihydro-2H-pyran-5-ylmethyl)heptan-2-amine
CID 115741741
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine
CID 115741743
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbutan-1-amine
CID 115741746
N-(3,6-dihydro-2H-pyran-5-ylmethyl)hexan-1-amine
CID 115741749

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
The IUPAC name of 2-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine (CID 115741804) is 2-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
The canonical SMILES for 2-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine is C1=C(CNCCC2CCCC2)COCC1.
What is the InChIKey of 2-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
The InChIKey is UPTPIGMJKGYMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-5-12(4-1)7-8-14-10-13-6-3-9-15-11-13/h6,12,14H,1-5,7-11H2.
What are the key properties of 2-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
2-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine is sourced from PubChem (CID 115741804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).