6,6,6-trifluoro-1-(1-methoxycyclobutyl)-N-propylhexan-2-amine

C14H26F3NO — CID 103559716

IUPAC6,6,6-trifluoro-1-(1-methoxycyclobutyl)-N-propylhexan-2-amine
SMILESCCCNC(CCCC(F)(F)F)CC1(OC)CCC1
InChIInChI=1S/C14H26F3NO/c1-3-10-18-12(6-4-9-14(15,16)17)11-13(19-2)7-5-8-13/h12,18H,3-11H2,1-2H3
InChIKeyZMLIVVCYDWXHKB-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.05
Rot. Bonds9

About 6,6,6-trifluoro-1-(1-methoxycyclobutyl)-N-propylhexan-2-amine

6,6,6-trifluoro-1-(1-methoxycyclobutyl)-N-propylhexan-2-amine (PubChem CID 103559716) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(1-methoxycyclobutyl)-N-propylhexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(1-methoxycyclobutyl)-N-propylhexan-2-amine
PubChem CID103559716
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name6,6,6-trifluoro-1-(1-methoxycyclobutyl)-N-propylhexan-2-amine
SMILESCCCNC(CCCC(F)(F)F)CC1(OC)CCC1
InChIInChI=1S/C14H26F3NO/c1-3-10-18-12(6-4-9-14(15,16)17)11-13(19-2)7-5-8-13/h12,18H,3-11H2,1-2H3
InChIKeyZMLIVVCYDWXHKB-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 129276996
2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 64102494
2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 64106293
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.4]octan-1-amine
CID 64863452
3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.4]octan-1-amine
CID 64863866
3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.5]nonan-1-amine
CID 65169610
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
CID 65170650
N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine
CID 66350084
N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine
CID 66350529
N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine
CID 66350530
N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine
CID 66350745
N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine
CID 66350971

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-(1-methoxycyclobutyl)-N-propylhexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-1-(1-methoxycyclobutyl)-N-propylhexan-2-amine (CID 103559716) is 6,6,6-trifluoro-1-(1-methoxycyclobutyl)-N-propylhexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-1-(1-methoxycyclobutyl)-N-propylhexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-1-(1-methoxycyclobutyl)-N-propylhexan-2-amine is CCCNC(CCCC(F)(F)F)CC1(OC)CCC1.
What is the InChIKey of 6,6,6-trifluoro-1-(1-methoxycyclobutyl)-N-propylhexan-2-amine?
The InChIKey is ZMLIVVCYDWXHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-3-10-18-12(6-4-9-14(15,16)17)11-13(19-2)7-5-8-13/h12,18H,3-11H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-1-(1-methoxycyclobutyl)-N-propylhexan-2-amine?
6,6,6-trifluoro-1-(1-methoxycyclobutyl)-N-propylhexan-2-amine has a molecular weight of 281.36 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-(1-methoxycyclobutyl)-N-propylhexan-2-amine is sourced from PubChem (CID 103559716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).