N,5-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine

C11H22F3NO — CID 103148256

IUPACN,5-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESCCC(C)CC(CCOCC(F)(F)F)NC
InChIInChI=1S/C11H22F3NO/c1-4-9(2)7-10(15-3)5-6-16-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyFMSNMKXQBVMVKK-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.98
Rot. Bonds8

About N,5-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine

N,5-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine (PubChem CID 103148256) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is N,5-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine.

Molecular Properties

Compound NameN,5-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
PubChem CID103148256
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC NameN,5-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESCCC(C)CC(CCOCC(F)(F)F)NC
InChIInChI=1S/C11H22F3NO/c1-4-9(2)7-10(15-3)5-6-16-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyFMSNMKXQBVMVKK-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.98
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

4-[4-(4,4,4-Trifluorobutoxy)butyl]piperidine
CID 143045350
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-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54961822
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 54962221
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962222
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962223
6-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine
CID 54962390
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
N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 55083389

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The IUPAC name of N,5-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine (CID 103148256) is N,5-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine.
What is the SMILES notation for N,5-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The canonical SMILES for N,5-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine is CCC(C)CC(CCOCC(F)(F)F)NC.
What is the InChIKey of N,5-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The InChIKey is FMSNMKXQBVMVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-4-9(2)7-10(15-3)5-6-16-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of N,5-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
N,5-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine has a molecular weight of 241.30 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine is sourced from PubChem (CID 103148256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).