N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine

C13H24F3NO — CID 55139462

IUPACN-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine
SMILESCNC1CCCCCC1CCCOCC(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-17-12-8-4-2-3-6-11(12)7-5-9-18-10-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyDVDMKRZPIWKSEP-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds6

About N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine

N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine (PubChem CID 55139462) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine
PubChem CID55139462
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine
SMILESCNC1CCCCCC1CCCOCC(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-17-12-8-4-2-3-6-11(12)7-5-9-18-10-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyDVDMKRZPIWKSEP-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.51
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

cis-(1R,3S)-5-(1-ethoxyethyl)-3-(trifluoromethyl)cycloheptan-1-amine
CID 166684416
N,2,2-trimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961720
N-ethyl-2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961721
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
3-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 54961772
N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 54961820
N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 54961821
N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54961822
N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54961873
N-ethyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083057
N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083200

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine?
The IUPAC name of N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine (CID 55139462) is N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine.
What is the SMILES notation for N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine?
The canonical SMILES for N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine is CNC1CCCCCC1CCCOCC(F)(F)F.
What is the InChIKey of N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine?
The InChIKey is DVDMKRZPIWKSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-17-12-8-4-2-3-6-11(12)7-5-9-18-10-13(14,15)16/h11-12,17H,2-10H2,1H3.
What are the key properties of N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine?
N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine is sourced from PubChem (CID 55139462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).