N-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]propan-1-amine

C14H25NO2 — CID 102647568

IUPACN-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CCCOC1
InChIInChI=1S/C14H25NO2/c1-2-8-15-14(12-6-5-9-16-11-12)13-7-3-4-10-17-13/h7,12,14-15H,2-6,8-11H2,1H3
InChIKeyKUPDTTUCXUEWQX-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.48
Rot. Bonds5

About N-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]propan-1-amine

N-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]propan-1-amine (PubChem CID 102647568) 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(oxan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]propan-1-amine
PubChem CID102647568
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CCCOC1
InChIInChI=1S/C14H25NO2/c1-2-8-15-14(12-6-5-9-16-11-12)13-7-3-4-10-17-13/h7,12,14-15H,2-6,8-11H2,1H3
InChIKeyKUPDTTUCXUEWQX-UHFFFAOYSA-N
XLogP2.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.48
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]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]propan-1-amine (CID 102647568) is N-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]propan-1-amine is CCCNC(C1=CCCCO1)C1CCCOC1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]propan-1-amine?
The InChIKey is KUPDTTUCXUEWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-8-15-14(12-6-5-9-16-11-12)13-7-3-4-10-17-13/h7,12,14-15H,2-6,8-11H2,1H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]propan-1-amine?
N-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]propan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.48, 5 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]propan-1-amine is sourced from PubChem (CID 102647568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).