N-methyl-1-[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methanamine

C12H22F3NO — CID 66277667

IUPACN-methyl-1-[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methanamine
SMILESCNCC1(OC(C)C(F)(F)F)CCCCCC1
InChIInChI=1S/C12H22F3NO/c1-10(12(13,14)15)17-11(9-16-2)7-5-3-4-6-8-11/h10,16H,3-9H2,1-2H3
InChIKeyWZCMQBHJXALBPY-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.27
Rot. Bonds4

About N-methyl-1-[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methanamine

N-methyl-1-[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methanamine (PubChem CID 66277667) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-methyl-1-[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methanamine
PubChem CID66277667
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-methyl-1-[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methanamine
SMILESCNCC1(OC(C)C(F)(F)F)CCCCCC1
InChIInChI=1S/C12H22F3NO/c1-10(12(13,14)15)17-11(9-16-2)7-5-3-4-6-8-11/h10,16H,3-9H2,1-2H3
InChIKeyWZCMQBHJXALBPY-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Fluorocycloheptyl)morpholine
CID 175482467
1-(5,5-difluoro-6-propan-2-yloxan-2-yl)-N-methylmethanamine
CID 178984973
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583
N-methyl-1-[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 55036821
1-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cycloheptan-1-ol
CID 60728909
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-1-amine
CID 62109240
N-methyl-1-[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine
CID 62109244
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]ethanamine
CID 62109245
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]cyclopropanamine
CID 62109404
2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 62109405
N-methyl-1-[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 62110251
1-[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine
CID 62110922

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methanamine?
The IUPAC name of N-methyl-1-[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methanamine (CID 66277667) is N-methyl-1-[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methanamine is CNCC1(OC(C)C(F)(F)F)CCCCCC1.
What is the InChIKey of N-methyl-1-[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methanamine?
The InChIKey is WZCMQBHJXALBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-10(12(13,14)15)17-11(9-16-2)7-5-3-4-6-8-11/h10,16H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methanamine?
N-methyl-1-[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methanamine has a molecular weight of 253.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methanamine is sourced from PubChem (CID 66277667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).