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

C13H24F3NO — CID 103148725

IUPAC5-methylidene-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESC=C(CC)CC(CCOCC(F)(F)F)NCCC
InChIInChI=1S/C13H24F3NO/c1-4-7-17-12(9-11(3)5-2)6-8-18-10-13(14,15)16/h12,17H,3-10H2,1-2H3
InChIKeyMTNDHYKANCDDHN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.68
Rot. Bonds10

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

5-methylidene-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine (PubChem CID 103148725) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-methylidene-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine.

Molecular Properties

Compound Name5-methylidene-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
PubChem CID103148725
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name5-methylidene-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESC=C(CC)CC(CCOCC(F)(F)F)NCCC
InChIInChI=1S/C13H24F3NO/c1-4-7-17-12(9-11(3)5-2)6-8-18-10-13(14,15)16/h12,17H,3-10H2,1-2H3
InChIKeyMTNDHYKANCDDHN-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.68
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-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148341
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

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The IUPAC name of 5-methylidene-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine (CID 103148725) is 5-methylidene-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine.
What is the SMILES notation for 5-methylidene-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The canonical SMILES for 5-methylidene-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine is C=C(CC)CC(CCOCC(F)(F)F)NCCC.
What is the InChIKey of 5-methylidene-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The InChIKey is MTNDHYKANCDDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-4-7-17-12(9-11(3)5-2)6-8-18-10-13(14,15)16/h12,17H,3-10H2,1-2H3.
What are the key properties of 5-methylidene-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
5-methylidene-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine has a molecular weight of 267.33 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine is sourced from PubChem (CID 103148725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).