(E)-2-ethyl-1,4-difluoro-N,N-dimethyl-3-methylidenepent-1-en-1-amine

C10H17F2N — CID 143325004

IUPAC(E)-2-ethyl-1,4-difluoro-N,N-dimethyl-3-methylidenepent-1-en-1-amine
SMILESC=C(/C(CC)=C(/F)N(C)C)C(C)F
InChIInChI=1S/C10H17F2N/c1-6-9(7(2)8(3)11)10(12)13(4)5/h8H,2,6H2,1,3-5H3/b10-9-
InChIKeyWZUDUQYUHNCAGE-KTKRTIGZSA-N
MW189.25 g/mol
LogP3.05
Rot. Bonds4

About (E)-2-ethyl-1,4-difluoro-N,N-dimethyl-3-methylidenepent-1-en-1-amine

(E)-2-ethyl-1,4-difluoro-N,N-dimethyl-3-methylidenepent-1-en-1-amine (PubChem CID 143325004) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is (E)-2-ethyl-1,4-difluoro-N,N-dimethyl-3-methylidenepent-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethyl-1,4-difluoro-N,N-dimethyl-3-methylidenepent-1-en-1-amine
PubChem CID143325004
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name(E)-2-ethyl-1,4-difluoro-N,N-dimethyl-3-methylidenepent-1-en-1-amine
SMILESC=C(/C(CC)=C(/F)N(C)C)C(C)F
InChIInChI=1S/C10H17F2N/c1-6-9(7(2)8(3)11)10(12)13(4)5/h8H,2,6H2,1,3-5H3/b10-9-
InChIKeyWZUDUQYUHNCAGE-KTKRTIGZSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-1,4-difluoro-N,N-dimethyl-3-methylidenepent-1-en-1-amine?
The IUPAC name of (E)-2-ethyl-1,4-difluoro-N,N-dimethyl-3-methylidenepent-1-en-1-amine (CID 143325004) is (E)-2-ethyl-1,4-difluoro-N,N-dimethyl-3-methylidenepent-1-en-1-amine.
What is the SMILES notation for (E)-2-ethyl-1,4-difluoro-N,N-dimethyl-3-methylidenepent-1-en-1-amine?
The canonical SMILES for (E)-2-ethyl-1,4-difluoro-N,N-dimethyl-3-methylidenepent-1-en-1-amine is C=C(/C(CC)=C(/F)N(C)C)C(C)F.
What is the InChIKey of (E)-2-ethyl-1,4-difluoro-N,N-dimethyl-3-methylidenepent-1-en-1-amine?
The InChIKey is WZUDUQYUHNCAGE-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H17F2N/c1-6-9(7(2)8(3)11)10(12)13(4)5/h8H,2,6H2,1,3-5H3/b10-9-.
What are the key properties of (E)-2-ethyl-1,4-difluoro-N,N-dimethyl-3-methylidenepent-1-en-1-amine?
(E)-2-ethyl-1,4-difluoro-N,N-dimethyl-3-methylidenepent-1-en-1-amine has a molecular weight of 189.25 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-1,4-difluoro-N,N-dimethyl-3-methylidenepent-1-en-1-amine is sourced from PubChem (CID 143325004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).