N-ethyl-N-((18F)fluoromethyl)-2-(1-methoxycyclohexyl)oxyethanamine

C12H24FNO2 — CID 25217623

IUPACN-ethyl-N-((18F)fluoromethyl)-2-(1-methoxycyclohexyl)oxyethanamine
SMILESCCN(C[18F])CCOC1(OC)CCCCC1
InChIInChI=1S/C12H24FNO2/c1-3-14(11-13)9-10-16-12(15-2)7-5-4-6-8-12/h3-11H2,1-2H3/i13-1
InChIKeyPZAOGZJCIQLYBW-HSGWXFLFSA-N
MW232.33 g/mol
LogP2.56
Rot. Bonds7

About N-ethyl-N-((18F)fluoromethyl)-2-(1-methoxycyclohexyl)oxyethanamine

N-ethyl-N-((18F)fluoromethyl)-2-(1-methoxycyclohexyl)oxyethanamine (PubChem CID 25217623) has the molecular formula C12H24FNO2 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-ethyl-N-((18F)fluoromethyl)-2-(1-methoxycyclohexyl)oxyethanamine.

Molecular Properties

Compound NameN-ethyl-N-((18F)fluoromethyl)-2-(1-methoxycyclohexyl)oxyethanamine
PubChem CID25217623
Molecular FormulaC12H24FNO2
Molecular Weight232.33 g/mol
Exact Mass232.18
IUPAC NameN-ethyl-N-((18F)fluoromethyl)-2-(1-methoxycyclohexyl)oxyethanamine
SMILESCCN(C[18F])CCOC1(OC)CCCCC1
InChIInChI=1S/C12H24FNO2/c1-3-14(11-13)9-10-16-12(15-2)7-5-4-6-8-12/h3-11H2,1-2H3/i13-1
InChIKeyPZAOGZJCIQLYBW-HSGWXFLFSA-N
XLogP2.56
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,1-dipropoxycyclodecane
CID 89439642
1,1-dibutoxycyclooctane
CID 18791994
1-[2-[ethyl(2-methoxyethyl)amino]ethyl]-N-methylcyclohexan-1-amine
CID 65241488
1,1-dibutoxycyclopentane
CID 18792031
1,1-dipropoxycyclononane;trimethylphosphane;hydroiodide
CID 175350547
1-methoxy-1-oxidooxycyclohexane
CID 102414242
1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane
CID 154120160
1-hydroperoxy-1-(2-methoxyethoxy)cyclohexane
CID 10726344
1-[4-(1-methoxycyclohexyl)oxybutoxy]cyclohexene
CID 123421371
1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 63692113
1,1-bis(hept-3-enoxy)cyclohexane
CID 69187054
1-[[bis(2-methoxyethyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 62275891

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-((18F)fluoromethyl)-2-(1-methoxycyclohexyl)oxyethanamine?
The IUPAC name of N-ethyl-N-((18F)fluoromethyl)-2-(1-methoxycyclohexyl)oxyethanamine (CID 25217623) is N-ethyl-N-((18F)fluoromethyl)-2-(1-methoxycyclohexyl)oxyethanamine.
What is the SMILES notation for N-ethyl-N-((18F)fluoromethyl)-2-(1-methoxycyclohexyl)oxyethanamine?
The canonical SMILES for N-ethyl-N-((18F)fluoromethyl)-2-(1-methoxycyclohexyl)oxyethanamine is CCN(C[18F])CCOC1(OC)CCCCC1.
What is the InChIKey of N-ethyl-N-((18F)fluoromethyl)-2-(1-methoxycyclohexyl)oxyethanamine?
The InChIKey is PZAOGZJCIQLYBW-HSGWXFLFSA-N. The full InChI is InChI=1S/C12H24FNO2/c1-3-14(11-13)9-10-16-12(15-2)7-5-4-6-8-12/h3-11H2,1-2H3/i13-1.
What are the key properties of N-ethyl-N-((18F)fluoromethyl)-2-(1-methoxycyclohexyl)oxyethanamine?
N-ethyl-N-((18F)fluoromethyl)-2-(1-methoxycyclohexyl)oxyethanamine has a molecular weight of 232.33 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-((18F)fluoromethyl)-2-(1-methoxycyclohexyl)oxyethanamine is sourced from PubChem (CID 25217623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).