N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclopentan-1-amine

C12H21NO — CID 62064257

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclopentan-1-amine
SMILESCC1(NCC2CCC=CO2)CCCC1
InChIInChI=1S/C12H21NO/c1-12(7-3-4-8-12)13-10-11-6-2-5-9-14-11/h5,9,11,13H,2-4,6-8,10H2,1H3
InChIKeyFIXGVVWRXHAONO-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.60
Rot. Bonds3

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclopentan-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclopentan-1-amine (PubChem CID 62064257) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclopentan-1-amine
PubChem CID62064257
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclopentan-1-amine
SMILESCC1(NCC2CCC=CO2)CCCC1
InChIInChI=1S/C12H21NO/c1-12(7-3-4-8-12)13-10-11-6-2-5-9-14-11/h5,9,11,13H,2-4,6-8,10H2,1H3
InChIKeyFIXGVVWRXHAONO-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclopentan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclopentan-1-amine (CID 62064257) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclopentan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclopentan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclopentan-1-amine is CC1(NCC2CCC=CO2)CCCC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclopentan-1-amine?
The InChIKey is FIXGVVWRXHAONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(7-3-4-8-12)13-10-11-6-2-5-9-14-11/h5,9,11,13H,2-4,6-8,10H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclopentan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclopentan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclopentan-1-amine is sourced from PubChem (CID 62064257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).