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

C13H23NO2 — CID 102647567

IUPACN-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1CCCOC1
InChIInChI=1S/C13H23NO2/c1-2-14-13(11-6-5-8-15-10-11)12-7-3-4-9-16-12/h7,11,13-14H,2-6,8-10H2,1H3
InChIKeyLRKRRQIHSPKTCN-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.09
Rot. Bonds4

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

N-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]ethanamine (PubChem CID 102647567) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]ethanamine
PubChem CID102647567
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1CCCOC1
InChIInChI=1S/C13H23NO2/c1-2-14-13(11-6-5-8-15-10-11)12-7-3-4-9-16-12/h7,11,13-14H,2-6,8-10H2,1H3
InChIKeyLRKRRQIHSPKTCN-UHFFFAOYSA-N
XLogP2.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4,6-dimethyl-3-[[(3R)-piperidin-3-yl]methoxy]cyclohex-2-en-1-amine
CID 70864159
1-(Ethoxymethyl)-6-methoxy-1,2,3,4,4a,5-hexahydroisoquinoline
CID 123517118
3-(Cyclohexa-1,3-dien-1-yloxymethyl)-2,6-dimethylpiperidine
CID 173509026
N,3-dimethyl-1-(oxan-3-yl)but-2-en-1-amine
CID 79179270
N-ethyl-3-methyl-1-(oxan-3-yl)but-2-en-1-amine
CID 79179500
3-methyl-1-(oxan-3-yl)-N-propylbut-2-en-1-amine
CID 79179700
N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102647214
N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647215
1-(3,4-dihydro-2H-pyran-6-yl)-N,4-dimethylpentan-1-amine
CID 102647277
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-4-methylpentan-1-amine
CID 102647278
1-(3,4-dihydro-2H-pyran-6-yl)-4-methyl-N-propylpentan-1-amine
CID 102647279
N-[cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102647503

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]ethanamine (CID 102647567) is N-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]ethanamine is CCNC(C1=CCCCO1)C1CCCOC1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]ethanamine?
The InChIKey is LRKRRQIHSPKTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-14-13(11-6-5-8-15-10-11)12-7-3-4-9-16-12/h7,11,13-14H,2-6,8-10H2,1H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]ethanamine?
N-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]ethanamine has a molecular weight of 225.33 g/mol, XLogP of 2.09, 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(oxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 102647567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).