3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methanamine

C12H21NO — CID 102647601

IUPAC3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(C(N)C2=CCCCO2)C1
InChIInChI=1S/C12H21NO/c1-9-5-6-10(8-9)12(13)11-4-2-3-7-14-11/h4,9-10,12H,2-3,5-8,13H2,1H3
InChIKeyBTFTWSRDSRNAAA-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.44
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methanamine

3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methanamine (PubChem CID 102647601) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methanamine
PubChem CID102647601
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(C(N)C2=CCCCO2)C1
InChIInChI=1S/C12H21NO/c1-9-5-6-10(8-9)12(13)11-4-2-3-7-14-11/h4,9-10,12H,2-3,5-8,13H2,1H3
InChIKeyBTFTWSRDSRNAAA-UHFFFAOYSA-N
XLogP2.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydrofuran-5-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 102653077
2-Methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine
CID 91088098
cyclopentyl-(2,2-dimethyl-3H-furan-5-yl)methanamine
CID 142810465
cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647140
cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647236
1-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647237
N-[cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102647238
N-[cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647239
1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-amine
CID 102647276
3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanamine
CID 102647310
3,4-dihydro-2H-pyran-6-yl-(4-methylcyclohexyl)methanamine
CID 102647314
3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methanamine
CID 102647577

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methanamine (CID 102647601) is 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methanamine is CC1CCC(C(N)C2=CCCCO2)C1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methanamine?
The InChIKey is BTFTWSRDSRNAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-5-6-10(8-9)12(13)11-4-2-3-7-14-11/h4,9-10,12H,2-3,5-8,13H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methanamine?
3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methanamine has a molecular weight of 195.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 102647601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).