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

C11H20F3NO — CID 103148341

IUPACN-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESC=C(CC)CC(CCOCC(F)(F)F)NC
InChIInChI=1S/C11H20F3NO/c1-4-9(2)7-10(15-3)5-6-16-8-11(12,13)14/h10,15H,2,4-8H2,1,3H3
InChIKeyTZCFIIHTTKKAND-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.90
Rot. Bonds8

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

N-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine (PubChem CID 103148341) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine.

Molecular Properties

Compound NameN-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
PubChem CID103148341
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESC=C(CC)CC(CCOCC(F)(F)F)NC
InChIInChI=1S/C11H20F3NO/c1-4-9(2)7-10(15-3)5-6-16-8-11(12,13)14/h10,15H,2,4-8H2,1,3H3
InChIKeyTZCFIIHTTKKAND-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(1,1,2,2-tetrafluoroethoxy)hept-6-en-3-amine
CID 89088323
5-Methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103147962
5-Methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148073
6-Methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148112
N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148238
N-methyl-1-(2,2,2-trifluoroethoxy)oct-7-en-3-amine
CID 103148278
N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148287
N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148339
N,6-dimethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148375
N-ethyl-5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148484
N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148523
N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148561

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The IUPAC name of N-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine (CID 103148341) is N-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine.
What is the SMILES notation for N-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The canonical SMILES for N-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine is C=C(CC)CC(CCOCC(F)(F)F)NC.
What is the InChIKey of N-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The InChIKey is TZCFIIHTTKKAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-4-9(2)7-10(15-3)5-6-16-8-11(12,13)14/h10,15H,2,4-8H2,1,3H3.
What are the key properties of N-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
N-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine has a molecular weight of 239.28 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine is sourced from PubChem (CID 103148341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).