5-ethoxy-1,1,1-trifluoro-6-methyl-N-propylheptan-4-amine

C13H26F3NO — CID 116721673

IUPAC5-ethoxy-1,1,1-trifluoro-6-methyl-N-propylheptan-4-amine
SMILESCCCNC(CCC(F)(F)F)C(OCC)C(C)C
InChIInChI=1S/C13H26F3NO/c1-5-9-17-11(7-8-13(14,15)16)12(10(3)4)18-6-2/h10-12,17H,5-9H2,1-4H3
InChIKeySZJSRLWTUXACCG-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.76
Rot. Bonds9

About 5-ethoxy-1,1,1-trifluoro-6-methyl-N-propylheptan-4-amine

5-ethoxy-1,1,1-trifluoro-6-methyl-N-propylheptan-4-amine (PubChem CID 116721673) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-ethoxy-1,1,1-trifluoro-6-methyl-N-propylheptan-4-amine.

Molecular Properties

Compound Name5-ethoxy-1,1,1-trifluoro-6-methyl-N-propylheptan-4-amine
PubChem CID116721673
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC Name5-ethoxy-1,1,1-trifluoro-6-methyl-N-propylheptan-4-amine
SMILESCCCNC(CCC(F)(F)F)C(OCC)C(C)C
InChIInChI=1S/C13H26F3NO/c1-5-9-17-11(7-8-13(14,15)16)12(10(3)4)18-6-2/h10-12,17H,5-9H2,1-4H3
InChIKeySZJSRLWTUXACCG-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

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Related Compounds

(2S,5R)-2-(cyclopropylmethyl)-5-(2,2-difluoroethyl)morpholine
CID 90065019
(2S,5S)-2-(cyclopropylmethyl)-5-(2,2-difluoroethyl)morpholine
CID 90065047
2-Tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine
CID 176833257
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 54962012
5-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]hexan-2-amine
CID 55092962
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 61490525
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-3-amine
CID 61490601
N-ethyl-3-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61755094
N-propyl-3-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61757100
N-methyl-3-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61757312
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 62110413
3-methyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62445779

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,1,1-trifluoro-6-methyl-N-propylheptan-4-amine?
The IUPAC name of 5-ethoxy-1,1,1-trifluoro-6-methyl-N-propylheptan-4-amine (CID 116721673) is 5-ethoxy-1,1,1-trifluoro-6-methyl-N-propylheptan-4-amine.
What is the SMILES notation for 5-ethoxy-1,1,1-trifluoro-6-methyl-N-propylheptan-4-amine?
The canonical SMILES for 5-ethoxy-1,1,1-trifluoro-6-methyl-N-propylheptan-4-amine is CCCNC(CCC(F)(F)F)C(OCC)C(C)C.
What is the InChIKey of 5-ethoxy-1,1,1-trifluoro-6-methyl-N-propylheptan-4-amine?
The InChIKey is SZJSRLWTUXACCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-5-9-17-11(7-8-13(14,15)16)12(10(3)4)18-6-2/h10-12,17H,5-9H2,1-4H3.
What are the key properties of 5-ethoxy-1,1,1-trifluoro-6-methyl-N-propylheptan-4-amine?
5-ethoxy-1,1,1-trifluoro-6-methyl-N-propylheptan-4-amine has a molecular weight of 269.35 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,1,1-trifluoro-6-methyl-N-propylheptan-4-amine is sourced from PubChem (CID 116721673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).