5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)nonan-3-amine

C14H28F3NO — CID 103148433

IUPAC5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)nonan-3-amine
SMILESCCCCC(CC)CC(CCOCC(F)(F)F)NC
InChIInChI=1S/C14H28F3NO/c1-4-6-7-12(5-2)10-13(18-3)8-9-19-11-14(15,16)17/h12-13,18H,4-11H2,1-3H3
InChIKeyRSLDCAGNGUEFRR-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.15
Rot. Bonds11

About 5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)nonan-3-amine

5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)nonan-3-amine (PubChem CID 103148433) has the molecular formula C14H28F3NO and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)nonan-3-amine.

Molecular Properties

Compound Name5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)nonan-3-amine
PubChem CID103148433
Molecular FormulaC14H28F3NO
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC Name5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)nonan-3-amine
SMILESCCCCC(CC)CC(CCOCC(F)(F)F)NC
InChIInChI=1S/C14H28F3NO/c1-4-6-7-12(5-2)10-13(18-3)8-9-19-11-14(15,16)17/h12-13,18H,4-11H2,1-3H3
InChIKeyRSLDCAGNGUEFRR-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 54961820
N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 54961821
N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54961822
N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54961873
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 54962221
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962222
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962223
N-ethyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083057
N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083200
4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55083489
N,4-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55084087
N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55093564

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)nonan-3-amine?
The IUPAC name of 5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)nonan-3-amine (CID 103148433) is 5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)nonan-3-amine.
What is the SMILES notation for 5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)nonan-3-amine?
The canonical SMILES for 5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)nonan-3-amine is CCCCC(CC)CC(CCOCC(F)(F)F)NC.
What is the InChIKey of 5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)nonan-3-amine?
The InChIKey is RSLDCAGNGUEFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO/c1-4-6-7-12(5-2)10-13(18-3)8-9-19-11-14(15,16)17/h12-13,18H,4-11H2,1-3H3.
What are the key properties of 5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)nonan-3-amine?
5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)nonan-3-amine has a molecular weight of 283.38 g/mol, XLogP of 4.15, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)nonan-3-amine is sourced from PubChem (CID 103148433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).