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

C12H21NO — CID 115763772

IUPACN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclopentanamine
SMILESC1=C(CCNC2CCCC2)CCOC1
InChIInChI=1S/C12H21NO/c1-2-4-12(3-1)13-8-5-11-6-9-14-10-7-11/h6,12-13H,1-5,7-10H2
InChIKeySKYKCDCFZNEOTM-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.26
Rot. Bonds4

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

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclopentanamine (PubChem CID 115763772) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclopentanamine
PubChem CID115763772
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclopentanamine
SMILESC1=C(CCNC2CCCC2)CCOC1
InChIInChI=1S/C12H21NO/c1-2-4-12(3-1)13-8-5-11-6-9-14-10-7-11/h6,12-13H,1-5,7-10H2
InChIKeySKYKCDCFZNEOTM-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.26
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
ethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine
CID 166094131
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)cyclopentanamine
CID 115741736
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methoxypentan-1-amine
CID 115741936
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]cyclohexanamine
CID 115763783
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylcyclopentan-1-amine
CID 115763786
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxolan-3-amine
CID 115763787

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclopentanamine (CID 115763772) is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclopentanamine is C1=C(CCNC2CCCC2)CCOC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclopentanamine?
The InChIKey is SKYKCDCFZNEOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-4-12(3-1)13-8-5-11-6-9-14-10-7-11/h6,12-13H,1-5,7-10H2.
What are the key properties of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclopentanamine?
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclopentanamine has a molecular weight of 195.31 g/mol, XLogP of 2.26, 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]cyclopentanamine is sourced from PubChem (CID 115763772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).