1-(2,2-difluoroethoxy)-5-methyl-N-propylhex-4-en-3-amine

C12H23F2NO — CID 103149926

IUPAC1-(2,2-difluoroethoxy)-5-methyl-N-propylhex-4-en-3-amine
SMILESCCCNC(C=C(C)C)CCOCC(F)F
InChIInChI=1S/C12H23F2NO/c1-4-6-15-11(8-10(2)3)5-7-16-9-12(13)14/h8,11-12,15H,4-7,9H2,1-3H3
InChIKeyGIVIDCGQIHFYSI-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.99
Rot. Bonds9

About 1-(2,2-difluoroethoxy)-5-methyl-N-propylhex-4-en-3-amine

1-(2,2-difluoroethoxy)-5-methyl-N-propylhex-4-en-3-amine (PubChem CID 103149926) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-5-methyl-N-propylhex-4-en-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-5-methyl-N-propylhex-4-en-3-amine
PubChem CID103149926
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name1-(2,2-difluoroethoxy)-5-methyl-N-propylhex-4-en-3-amine
SMILESCCCNC(C=C(C)C)CCOCC(F)F
InChIInChI=1S/C12H23F2NO/c1-4-6-15-11(8-10(2)3)5-7-16-9-12(13)14/h8,11-12,15H,4-7,9H2,1-3H3
InChIKeyGIVIDCGQIHFYSI-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.99
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

(4S)-N-ethyl-3-fluoro-4-methyl-6-(2-methylpropoxy)cyclohepta-2,5-dien-1-amine
CID 174078155
5-Methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine
CID 103148083
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,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine
CID 103148352
N-ethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148517
N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148523
N-ethyl-5-methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine
CID 103148571
N-propyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148691
2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148695
5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine
CID 103148733
1-(2,2-Difluoroethoxy)-5-methylhex-4-en-3-amine
CID 103148966

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-5-methyl-N-propylhex-4-en-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-5-methyl-N-propylhex-4-en-3-amine (CID 103149926) is 1-(2,2-difluoroethoxy)-5-methyl-N-propylhex-4-en-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-5-methyl-N-propylhex-4-en-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-5-methyl-N-propylhex-4-en-3-amine is CCCNC(C=C(C)C)CCOCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-5-methyl-N-propylhex-4-en-3-amine?
The InChIKey is GIVIDCGQIHFYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-4-6-15-11(8-10(2)3)5-7-16-9-12(13)14/h8,11-12,15H,4-7,9H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethoxy)-5-methyl-N-propylhex-4-en-3-amine?
1-(2,2-difluoroethoxy)-5-methyl-N-propylhex-4-en-3-amine has a molecular weight of 235.32 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-5-methyl-N-propylhex-4-en-3-amine is sourced from PubChem (CID 103149926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).