N-(3,4-dihydro-2H-pyran-6-ylmethyl)ethanamine

C8H15NO — CID 102647458

IUPACN-(3,4-dihydro-2H-pyran-6-ylmethyl)ethanamine
SMILESCCNCC1=CCCCO1
InChIInChI=1S/C8H15NO/c1-2-9-7-8-5-3-4-6-10-8/h5,9H,2-4,6-7H2,1H3
InChIKeyWQLXVNXNPIHEMN-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.29
Rot. Bonds3

About N-(3,4-dihydro-2H-pyran-6-ylmethyl)ethanamine

N-(3,4-dihydro-2H-pyran-6-ylmethyl)ethanamine (PubChem CID 102647458) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-6-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-6-ylmethyl)ethanamine
PubChem CID102647458
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-(3,4-dihydro-2H-pyran-6-ylmethyl)ethanamine
SMILESCCNCC1=CCCCO1
InChIInChI=1S/C8H15NO/c1-2-9-7-8-5-3-4-6-10-8/h5,9H,2-4,6-7H2,1H3
InChIKeyWQLXVNXNPIHEMN-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-6-ylmethyl)ethanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-6-ylmethyl)ethanamine (CID 102647458) is N-(3,4-dihydro-2H-pyran-6-ylmethyl)ethanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-6-ylmethyl)ethanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-6-ylmethyl)ethanamine is CCNCC1=CCCCO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-6-ylmethyl)ethanamine?
The InChIKey is WQLXVNXNPIHEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-9-7-8-5-3-4-6-10-8/h5,9H,2-4,6-7H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-6-ylmethyl)ethanamine?
N-(3,4-dihydro-2H-pyran-6-ylmethyl)ethanamine has a molecular weight of 141.21 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-6-ylmethyl)ethanamine is sourced from PubChem (CID 102647458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).