N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine

C11H20F3NO — CID 66277595

IUPACN-methyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine
SMILESCNC1CCCCCC1OC(C)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-8(11(12,13)14)16-10-7-5-3-4-6-9(10)15-2/h8-10,15H,3-7H2,1-2H3
InChIKeyMSRDMSQVMNIFCM-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.87
Rot. Bonds3

About N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine

N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine (PubChem CID 66277595) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine
PubChem CID66277595
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-methyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine
SMILESCNC1CCCCCC1OC(C)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-8(11(12,13)14)16-10-7-5-3-4-6-9(10)15-2/h8-10,15H,3-7H2,1-2H3
InChIKeyMSRDMSQVMNIFCM-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine
CID 142607542
Methanidyl-[2,2,2-trifluoro-1-(oxan-2-yl)ethyl]azanium
CID 155624937
1-(5,5-difluoro-6-methyloxan-2-yl)-N-methylmethanamine
CID 171531417
5,5-Difluoro-2-(propan-2-yloxymethyl)piperidine
CID 176568305
2-(2,2,2-Trifluoroethoxy)cycloheptan-1-amine
CID 16786717
2-(2,2,3,3-Tetrafluoropropoxy)cycloheptan-1-amine
CID 45283087
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583
2-cycloheptyloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55093172
2-[2-(2,2,2-Trifluoroethoxy)ethylamino]cycloheptan-1-ol
CID 55262225
N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptanamine
CID 60732956
3-Cycloheptyloxy-4,4,4-trifluorobutan-2-amine
CID 61648276
2-Cycloheptyloxy-1,1,1-trifluoropentan-3-amine
CID 61648328

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine?
The IUPAC name of N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine (CID 66277595) is N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine.
What is the SMILES notation for N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine?
The canonical SMILES for N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine is CNC1CCCCCC1OC(C)C(F)(F)F.
What is the InChIKey of N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine?
The InChIKey is MSRDMSQVMNIFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8(11(12,13)14)16-10-7-5-3-4-6-9(10)15-2/h8-10,15H,3-7H2,1-2H3.
What are the key properties of N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine?
N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine is sourced from PubChem (CID 66277595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).