N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine

C8H15NO — CID 115674359

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
SMILESCCNCC1=CCCOC1
InChIInChI=1S/C8H15NO/c1-2-9-6-8-4-3-5-10-7-8/h4,9H,2-3,5-7H2,1H3
InChIKeyPERFNBYBUGERSJ-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds3

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine (PubChem CID 115674359) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
PubChem CID115674359
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
SMILESCCNCC1=CCCOC1
InChIInChI=1S/C8H15NO/c1-2-9-6-8-4-3-5-10-7-8/h4,9H,2-3,5-7H2,1H3
InChIKeyPERFNBYBUGERSJ-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylbutan-1-amine
CID 115742022
1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-methylbutan-2-ol
CID 115742025
1-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylthiourea
CID 130626503
1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-2-ol
CID 115742083
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 115741901
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine
CID 104624980
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyloxan-4-amine
CID 115758147
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115747382
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylaniline
CID 115742737
2-(3,6-dihydro-2H-pyran-5-yl)ethanamine
CID 55290393
N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine
CID 117125538
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588597

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine (CID 115674359) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine is CCNCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
The InChIKey is PERFNBYBUGERSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-9-6-8-4-3-5-10-7-8/h4,9H,2-3,5-7H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine has a molecular weight of 141.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine is sourced from PubChem (CID 115674359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).