2-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine

C12H21NO — CID 102649178

IUPAC2-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
SMILESNC(CC1CCCC1)C1=CCCCO1
InChIInChI=1S/C12H21NO/c13-11(9-10-5-1-2-6-10)12-7-3-4-8-14-12/h7,10-11H,1-6,8-9,13H2
InChIKeyLFYRSZHLUVVMDM-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.59
Rot. Bonds3

About 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine

2-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine (PubChem CID 102649178) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
PubChem CID102649178
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
SMILESNC(CC1CCCC1)C1=CCCCO1
InChIInChI=1S/C12H21NO/c13-11(9-10-5-1-2-6-10)12-7-3-4-8-14-12/h7,10-11H,1-6,8-9,13H2
InChIKeyLFYRSZHLUVVMDM-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102649150
3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 102649495
2,3-Dihydrofuran-5-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 102653077
(4,4-Difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanamine
CID 102653305
2,3-Dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 102653422
2,3-Dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 102653653
3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 113720576
cyclopentyl-(2,2-dimethyl-3H-furan-5-yl)methanamine
CID 142810465
Cyclopenten-1-yl(oxan-4-yl)methanamine
CID 62904964
3-(Oxolan-3-yl)cyclohex-2-en-1-amine
CID 65171993
3-(Oxan-4-ylmethyl)cyclopent-2-en-1-amine
CID 65174465
3-(Oxan-4-yl)cyclopent-2-en-1-amine
CID 65174636

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The IUPAC name of 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine (CID 102649178) is 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The canonical SMILES for 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine is NC(CC1CCCC1)C1=CCCCO1.
What is the InChIKey of 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The InChIKey is LFYRSZHLUVVMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c13-11(9-10-5-1-2-6-10)12-7-3-4-8-14-12/h7,10-11H,1-6,8-9,13H2.
What are the key properties of 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
2-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine has a molecular weight of 195.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine is sourced from PubChem (CID 102649178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).