N-[3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine

C17H31NO2 — CID 102648132

IUPACN-[3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1(OCC)CCC(C)CC1
InChIInChI=1S/C17H31NO2/c1-4-18-16(15-8-6-7-13-19-15)17(20-5-2)11-9-14(3)10-12-17/h8,14,16,18H,4-7,9-13H2,1-3H3
InChIKeyIJHCHOFQGGFMIJ-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.64
Rot. Bonds6

About N-[3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine

N-[3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine (PubChem CID 102648132) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
PubChem CID102648132
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1(OCC)CCC(C)CC1
InChIInChI=1S/C17H31NO2/c1-4-18-16(15-8-6-7-13-19-15)17(20-5-2)11-9-14(3)10-12-17/h8,14,16,18H,4-7,9-13H2,1-3H3
InChIKeyIJHCHOFQGGFMIJ-UHFFFAOYSA-N
XLogP3.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,3-dihydrofuran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 102652255
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)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 102648107
N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 116767370
1-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 102647756
N-[(1-ethoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine
CID 116767269
1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 102647752
1-(cyclohexen-1-yl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 106654643
N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 102648121
N-[(1-ethoxy-4-methylcyclohexyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102833988
3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine
CID 102648122
N-[3,4-dihydro-2H-pyran-6-yl-(1-phenylcyclopentyl)methyl]ethanamine
CID 102647409

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine (CID 102648132) is N-[3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine is CCNC(C1=CCCCO1)C1(OCC)CCC(C)CC1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is IJHCHOFQGGFMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-4-18-16(15-8-6-7-13-19-15)17(20-5-2)11-9-14(3)10-12-17/h8,14,16,18H,4-7,9-13H2,1-3H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine?
N-[3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine has a molecular weight of 281.44 g/mol, XLogP of 3.64, 6 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-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 102648132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).