N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine

C16H29NO3 — CID 116766056

IUPACN-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)C1(OCC)CCOCC1
InChIInChI=1S/C16H29NO3/c1-3-9-17-15(14-6-5-10-19-13-14)16(20-4-2)7-11-18-12-8-16/h13,15,17H,3-12H2,1-2H3
InChIKeyBLYWKEODUUUPML-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.63
Rot. Bonds7

About N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine

N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine (PubChem CID 116766056) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
PubChem CID116766056
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC NameN-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)C1(OCC)CCOCC1
InChIInChI=1S/C16H29NO3/c1-3-9-17-15(14-6-5-10-19-13-14)16(20-4-2)7-11-18-12-8-16/h13,15,17H,3-12H2,1-2H3
InChIKeyBLYWKEODUUUPML-UHFFFAOYSA-N
XLogP2.63
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 116765938
[3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105277842
N-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine
CID 116765963
N-[3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 102648125
N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 106654605
N-[(4-ethoxyoxan-4-yl)-(3-methylphenyl)methyl]propan-1-amine
CID 116766028
N-[(3-chlorophenyl)-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766029
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N-propylbutan-1-amine
CID 116717301
3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine
CID 116768695
N-[1-(4-ethoxyoxan-4-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 116765990
1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine
CID 116660937
N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766050

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine (CID 116766056) is N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine is CCCNC(C1=COCCC1)C1(OCC)CCOCC1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine?
The InChIKey is BLYWKEODUUUPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-9-17-15(14-6-5-10-19-13-14)16(20-4-2)7-11-18-12-8-16/h13,15,17H,3-12H2,1-2H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine?
N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine has a molecular weight of 283.41 g/mol, XLogP of 2.63, 7 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-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 116766056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).