3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopentyl)methanamine

C12H21NO — CID 102648776

IUPAC3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopentyl)methanamine
SMILESCC1(C(N)C2=CCCCO2)CCCC1
InChIInChI=1S/C12H21NO/c1-12(7-3-4-8-12)11(13)10-6-2-5-9-14-10/h6,11H,2-5,7-9,13H2,1H3
InChIKeyPTUOUMSVBIRYTB-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.59
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopentyl)methanamine

3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopentyl)methanamine (PubChem CID 102648776) 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-(1-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopentyl)methanamine
PubChem CID102648776
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopentyl)methanamine
SMILESCC1(C(N)C2=CCCCO2)CCCC1
InChIInChI=1S/C12H21NO/c1-12(7-3-4-8-12)11(13)10-6-2-5-9-14-10/h6,11H,2-5,7-9,13H2,1H3
InChIKeyPTUOUMSVBIRYTB-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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)-3,3-dimethylbutan-1-amine
CID 102647451
3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanamine
CID 102647581
3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methanamine
CID 102647601
3,4-dihydro-2H-pyran-6-yl-(3-ethylcyclopentyl)methanamine
CID 102647604
3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopropyl)methanamine
CID 102647623
3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclopentyl)methanamine
CID 102648034

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopentyl)methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopentyl)methanamine (CID 102648776) is 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopentyl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopentyl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopentyl)methanamine is CC1(C(N)C2=CCCCO2)CCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopentyl)methanamine?
The InChIKey is PTUOUMSVBIRYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(7-3-4-8-12)11(13)10-6-2-5-9-14-10/h6,11H,2-5,7-9,13H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopentyl)methanamine?
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopentyl)methanamine has a molecular weight of 195.31 g/mol, XLogP of 2.59, 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-(1-methylcyclopentyl)methanamine is sourced from PubChem (CID 102648776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).