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

C14H25NO2 — CID 102647905

IUPACN-[3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1(C)CCCCO1
InChIInChI=1S/C14H25NO2/c1-3-15-13(12-8-4-6-10-16-12)14(2)9-5-7-11-17-14/h8,13,15H,3-7,9-11H2,1-2H3
InChIKeyXHTHLCBZHUHNTB-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.62
Rot. Bonds4

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

N-[3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methyl]ethanamine (PubChem CID 102647905) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methyl]ethanamine
PubChem CID102647905
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1(C)CCCCO1
InChIInChI=1S/C14H25NO2/c1-3-15-13(12-8-4-6-10-16-12)14(2)9-5-7-11-17-14/h8,13,15H,3-7,9-11H2,1-2H3
InChIKeyXHTHLCBZHUHNTB-UHFFFAOYSA-N
XLogP2.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methyl]ethanamine (CID 102647905) is N-[3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methyl]ethanamine is CCNC(C1=CCCCO1)C1(C)CCCCO1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methyl]ethanamine?
The InChIKey is XHTHLCBZHUHNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-15-13(12-8-4-6-10-16-12)14(2)9-5-7-11-17-14/h8,13,15H,3-7,9-11H2,1-2H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methyl]ethanamine?
N-[3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methyl]ethanamine has a molecular weight of 239.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methyl]ethanamine is sourced from PubChem (CID 102647905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).