5-(2,2-difluoroethoxy)-2-methyl-N-propylpent-1-en-3-amine

C11H21F2NO — CID 103149865

IUPAC5-(2,2-difluoroethoxy)-2-methyl-N-propylpent-1-en-3-amine
SMILESC=C(C)C(CCOCC(F)F)NCCC
InChIInChI=1S/C11H21F2NO/c1-4-6-14-10(9(2)3)5-7-15-8-11(12)13/h10-11,14H,2,4-8H2,1,3H3
InChIKeyQHOOHPOSOMRBGF-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.60
Rot. Bonds9

About 5-(2,2-difluoroethoxy)-2-methyl-N-propylpent-1-en-3-amine

5-(2,2-difluoroethoxy)-2-methyl-N-propylpent-1-en-3-amine (PubChem CID 103149865) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-2-methyl-N-propylpent-1-en-3-amine.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-2-methyl-N-propylpent-1-en-3-amine
PubChem CID103149865
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name5-(2,2-difluoroethoxy)-2-methyl-N-propylpent-1-en-3-amine
SMILESC=C(C)C(CCOCC(F)F)NCCC
InChIInChI=1S/C11H21F2NO/c1-4-6-14-10(9(2)3)5-7-15-8-11(12)13/h10-11,14H,2,4-8H2,1,3H3
InChIKeyQHOOHPOSOMRBGF-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.60
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-propan-2-yl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075042
2-Methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148016
N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148238
N-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148240
N-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148280
N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148287
N-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148341
N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine
CID 103148352
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-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148486
N-ethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148517

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-2-methyl-N-propylpent-1-en-3-amine?
The IUPAC name of 5-(2,2-difluoroethoxy)-2-methyl-N-propylpent-1-en-3-amine (CID 103149865) is 5-(2,2-difluoroethoxy)-2-methyl-N-propylpent-1-en-3-amine.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-2-methyl-N-propylpent-1-en-3-amine?
The canonical SMILES for 5-(2,2-difluoroethoxy)-2-methyl-N-propylpent-1-en-3-amine is C=C(C)C(CCOCC(F)F)NCCC.
What is the InChIKey of 5-(2,2-difluoroethoxy)-2-methyl-N-propylpent-1-en-3-amine?
The InChIKey is QHOOHPOSOMRBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-4-6-14-10(9(2)3)5-7-15-8-11(12)13/h10-11,14H,2,4-8H2,1,3H3.
What are the key properties of 5-(2,2-difluoroethoxy)-2-methyl-N-propylpent-1-en-3-amine?
5-(2,2-difluoroethoxy)-2-methyl-N-propylpent-1-en-3-amine has a molecular weight of 221.29 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-2-methyl-N-propylpent-1-en-3-amine is sourced from PubChem (CID 103149865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).