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

C11H20N2O — CID 62064599

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NCC2CCC=CO2)C1
InChIInChI=1S/C11H20N2O/c1-13-6-5-10(9-13)12-8-11-4-2-3-7-14-11/h3,7,10-12H,2,4-6,8-9H2,1H3
InChIKeySCDNOFRPMYAXAI-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.97
Rot. Bonds3

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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpyrrolidin-3-amine (PubChem CID 62064599) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpyrrolidin-3-amine
PubChem CID62064599
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NCC2CCC=CO2)C1
InChIInChI=1S/C11H20N2O/c1-13-6-5-10(9-13)12-8-11-4-2-3-7-14-11/h3,7,10-12H,2,4-6,8-9H2,1H3
InChIKeySCDNOFRPMYAXAI-UHFFFAOYSA-N
XLogP0.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
CID 62065418
2-(2-ethenyl-4-methoxypyrrolidin-1-yl)-N-methylprop-2-en-1-amine
CID 155158107
4-methoxy-N,1-dimethyl-2-[(E)-prop-1-enyl]pyrrolidin-3-amine
CID 155201713
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 55030349
2-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 55030404
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 55030686
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 55030740
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 55030742
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propylpiperidin-4-amine
CID 55030783
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 55030830
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine
CID 62064235
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
CID 62064239

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpyrrolidin-3-amine (CID 62064599) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpyrrolidin-3-amine is CN1CCC(NCC2CCC=CO2)C1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpyrrolidin-3-amine?
The InChIKey is SCDNOFRPMYAXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-13-6-5-10(9-13)12-8-11-4-2-3-7-14-11/h3,7,10-12H,2,4-6,8-9H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpyrrolidin-3-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpyrrolidin-3-amine has a molecular weight of 196.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 62064599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).