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

C15H27NO3 — CID 102648121

IUPACN-[3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1(OC)CCOCC1
InChIInChI=1S/C15H27NO3/c1-3-9-16-14(13-6-4-5-10-19-13)15(17-2)7-11-18-12-8-15/h6,14,16H,3-5,7-12H2,1-2H3
InChIKeyIEZKPEWFZPOZSA-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.24
Rot. Bonds6

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

N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methyl]propan-1-amine (PubChem CID 102648121) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methyl]propan-1-amine
PubChem CID102648121
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1(OC)CCOCC1
InChIInChI=1S/C15H27NO3/c1-3-9-16-14(13-6-4-5-10-19-13)15(17-2)7-11-18-12-8-15/h6,14,16H,3-5,7-12H2,1-2H3
InChIKeyIEZKPEWFZPOZSA-UHFFFAOYSA-N
XLogP2.24
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 102648125
1-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 102647750
N-[3,4-dihydro-2H-pyran-6-yl-(1-pyrrolidin-1-ylcyclopentyl)methyl]propan-1-amine
CID 102647740
[3,4-dihydro-2H-pyran-6-yl-(1-methoxycycloheptyl)methyl]hydrazine
CID 102650173
N-[(4-ethylphenyl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765167
N-[2,3-dihydrofuran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 102652255
N-[(3-ethylphenyl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765233
[3,4-dihydro-2H-pyran-6-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 102650172
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine
CID 102647801
3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine
CID 102648122
N-[(3-bromothiophen-2-yl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765142
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine
CID 102647447

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methyl]propan-1-amine (CID 102648121) is N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methyl]propan-1-amine is CCCNC(C1=CCCCO1)C1(OC)CCOCC1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methyl]propan-1-amine?
The InChIKey is IEZKPEWFZPOZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-9-16-14(13-6-4-5-10-19-13)15(17-2)7-11-18-12-8-15/h6,14,16H,3-5,7-12H2,1-2H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methyl]propan-1-amine?
N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methyl]propan-1-amine has a molecular weight of 269.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 102648121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).