3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

C15H30F3NO — CID 129276996

IUPAC3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCCCCC(C)(CC)OCCCNCC(F)(F)F
InChIInChI=1S/C15H30F3NO/c1-4-6-7-8-10-14(3,5-2)20-12-9-11-19-13-15(16,17)18/h19H,4-13H2,1-3H3
InChIKeyOVGCNNYZARGAKV-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.68
Rot. Bonds12

About 3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 129276996) has the molecular formula C15H30F3NO and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID129276996
Molecular FormulaC15H30F3NO
Molecular Weight297.40 g/mol
Exact Mass297.23
IUPAC Name3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCCCCC(C)(CC)OCCCNCC(F)(F)F
InChIInChI=1S/C15H30F3NO/c1-4-6-7-8-10-14(3,5-2)20-12-9-11-19-13-15(16,17)18/h19H,4-13H2,1-3H3
InChIKeyOVGCNNYZARGAKV-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.68
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

2,2-Difluoro-3-(4-methyldecan-4-yloxy)propan-1-amine
CID 130279046
N-butyl-5,5-difluoro-6-methoxy-4,7-dimethyloctan-1-amine
CID 146228722
N-[3,3-difluoro-5-(5-methyldodecan-5-yloxy)pentyl]-5-methyldodecan-5-amine
CID 156046168
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-1-amine
CID 62109240
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]ethanamine
CID 62109245
N,2-dipropyl-4-(trifluoromethyl)oxan-4-amine
CID 66204979
N-ethyl-2-propyl-4-(trifluoromethyl)oxan-4-amine
CID 66206592
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]ethanamine
CID 66274644
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-1-amine
CID 66274646
4-(difluoromethyl)-N,2-dipropyloxan-4-amine
CID 80604230
4-(difluoromethyl)-N-ethyl-2-propyloxan-4-amine
CID 80605517
N-[[1-(2,2-difluoroethoxy)cycloheptyl]methyl]ethanamine
CID 82006610

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 129276996) is 3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCCCCC(C)(CC)OCCCNCC(F)(F)F.
What is the InChIKey of 3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is OVGCNNYZARGAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3NO/c1-4-6-7-8-10-14(3,5-2)20-12-9-11-19-13-15(16,17)18/h19H,4-13H2,1-3H3.
What are the key properties of 3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 297.40 g/mol, XLogP of 4.68, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 129276996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).