N-[cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine

C13H23NO — CID 102647238

IUPACN-[cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1CCCC1
InChIInChI=1S/C13H23NO/c1-2-14-13(11-7-3-4-8-11)12-9-5-6-10-15-12/h9,11,13-14H,2-8,10H2,1H3
InChIKeyXQYSDXYYNRGTPH-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.85
Rot. Bonds4

About N-[cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine

N-[cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine (PubChem CID 102647238) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
PubChem CID102647238
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1CCCC1
InChIInChI=1S/C13H23NO/c1-2-14-13(11-7-3-4-8-11)12-9-5-6-10-15-12/h9,11,13-14H,2-8,10H2,1H3
InChIKeyXQYSDXYYNRGTPH-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-fluoroethoxy)cyclohex-3-en-1-yl]-N-prop-2-ynylpropan-2-amine
CID 130217421
N-[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102648944
N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102649283
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649634
1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652898
N-[2,3-dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102652911
N-[2,3-dihydrofuran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102653006
N-[2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102653035
N-[2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102653093
N-[2,3-dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102653443
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 102653661
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 102653769

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine?
The IUPAC name of N-[cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine (CID 102647238) is N-[cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine is CCNC(C1=CCCCO1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine?
The InChIKey is XQYSDXYYNRGTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-14-13(11-7-3-4-8-11)12-9-5-6-10-15-12/h9,11,13-14H,2-8,10H2,1H3.
What are the key properties of N-[cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine?
N-[cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine is sourced from PubChem (CID 102647238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).