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

C11H19NO — CID 115741736

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopentanamine
SMILESC1=C(CNC2CCCC2)COCC1
InChIInChI=1S/C11H19NO/c1-2-6-11(5-1)12-8-10-4-3-7-13-9-10/h4,11-12H,1-3,5-9H2
InChIKeyGYYIXFVCTDMTFA-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.87
Rot. Bonds3

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopentanamine (PubChem CID 115741736) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopentanamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopentanamine
PubChem CID115741736
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopentanamine
SMILESC1=C(CNC2CCCC2)COCC1
InChIInChI=1S/C11H19NO/c1-2-6-11(5-1)12-8-10-4-3-7-13-9-10/h4,11-12H,1-3,5-9H2
InChIKeyGYYIXFVCTDMTFA-UHFFFAOYSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.87
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-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine
CID 115742343
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5,5,5-trifluoropentan-1-amine
CID 115757862
ethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine
CID 166094131
N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine
CID 115674325
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 115674355
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopropanamine
CID 115678446
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)pentan-2-amine
CID 115741720
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethoxypropan-1-amine
CID 115741724
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine
CID 115741730
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropan-1-amine
CID 115741733

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopentanamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopentanamine (CID 115741736) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopentanamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopentanamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopentanamine is C1=C(CNC2CCCC2)COCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopentanamine?
The InChIKey is GYYIXFVCTDMTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-6-11(5-1)12-8-10-4-3-7-13-9-10/h4,11-12H,1-3,5-9H2.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopentanamine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopentanamine has a molecular weight of 181.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopentanamine is sourced from PubChem (CID 115741736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).