6-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine

C13H26F3NO — CID 54962390

IUPAC6-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine
SMILESCC(C)CCCC(C)NCCCOCC(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-11(2)6-4-7-12(3)17-8-5-9-18-10-13(14,15)16/h11-12,17H,4-10H2,1-3H3
InChIKeyOXELXTXPOHHUSY-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.76
Rot. Bonds10

About 6-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine

6-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine (PubChem CID 54962390) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine.

Molecular Properties

Compound Name6-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine
PubChem CID54962390
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC Name6-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine
SMILESCC(C)CCCC(C)NCCCOCC(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-11(2)6-4-7-12(3)17-8-5-9-18-10-13(14,15)16/h11-12,17H,4-10H2,1-3H3
InChIKeyOXELXTXPOHHUSY-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.76
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-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4-methylpentan-1-amine
CID 156566719
4-(Difluoromethoxy)-2-propan-2-ylpiperidine
CID 170772139
4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54937801
N-[3-(2,2,2-trifluoroethoxy)propyl]octan-2-amine
CID 54961715
N-(dicyclopropylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54961717
N-ethyl-2-methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961770
2-methyl-N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961771
4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54961861
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 54962012
N-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54962026
N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine
CID 54962287
2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54962337

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine?
The IUPAC name of 6-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine (CID 54962390) is 6-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine.
What is the SMILES notation for 6-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine?
The canonical SMILES for 6-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine is CC(C)CCCC(C)NCCCOCC(F)(F)F.
What is the InChIKey of 6-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine?
The InChIKey is OXELXTXPOHHUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-11(2)6-4-7-12(3)17-8-5-9-18-10-13(14,15)16/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 6-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine?
6-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine has a molecular weight of 269.35 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine is sourced from PubChem (CID 54962390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).