(3E)-N-ethyl-5,5-difluoro-3-methanimidoyl-4-methylhexa-1,3-dien-2-amine

C10H16F2N2 — CID 134466394

IUPAC(3E)-N-ethyl-5,5-difluoro-3-methanimidoyl-4-methylhexa-1,3-dien-2-amine
SMILES[H]/N=C/C(C(=C)NCC)=C(\C)C(C)(F)F
InChIInChI=1S/C10H16F2N2/c1-5-14-8(3)9(6-13)7(2)10(4,11)12/h6,13-14H,3,5H2,1-2,4H3/b9-7-,13-6+
InChIKeyYXEHOMGPJWATMT-UTHPIEKSSA-N
MW202.25 g/mol
LogP2.73
Rot. Bonds5

About (3E)-N-ethyl-5,5-difluoro-3-methanimidoyl-4-methylhexa-1,3-dien-2-amine

(3E)-N-ethyl-5,5-difluoro-3-methanimidoyl-4-methylhexa-1,3-dien-2-amine (PubChem CID 134466394) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3E)-N-ethyl-5,5-difluoro-3-methanimidoyl-4-methylhexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-N-ethyl-5,5-difluoro-3-methanimidoyl-4-methylhexa-1,3-dien-2-amine
PubChem CID134466394
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(3E)-N-ethyl-5,5-difluoro-3-methanimidoyl-4-methylhexa-1,3-dien-2-amine
SMILES[H]/N=C/C(C(=C)NCC)=C(\C)C(C)(F)F
InChIInChI=1S/C10H16F2N2/c1-5-14-8(3)9(6-13)7(2)10(4,11)12/h6,13-14H,3,5H2,1-2,4H3/b9-7-,13-6+
InChIKeyYXEHOMGPJWATMT-UTHPIEKSSA-N
XLogP2.73
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-N-ethyl-5,5-difluoro-3-methanimidoyl-4-methylhexa-1,3-dien-2-amine?
The IUPAC name of (3E)-N-ethyl-5,5-difluoro-3-methanimidoyl-4-methylhexa-1,3-dien-2-amine (CID 134466394) is (3E)-N-ethyl-5,5-difluoro-3-methanimidoyl-4-methylhexa-1,3-dien-2-amine.
What is the SMILES notation for (3E)-N-ethyl-5,5-difluoro-3-methanimidoyl-4-methylhexa-1,3-dien-2-amine?
The canonical SMILES for (3E)-N-ethyl-5,5-difluoro-3-methanimidoyl-4-methylhexa-1,3-dien-2-amine is [H]/N=C/C(C(=C)NCC)=C(\C)C(C)(F)F.
What is the InChIKey of (3E)-N-ethyl-5,5-difluoro-3-methanimidoyl-4-methylhexa-1,3-dien-2-amine?
The InChIKey is YXEHOMGPJWATMT-UTHPIEKSSA-N. The full InChI is InChI=1S/C10H16F2N2/c1-5-14-8(3)9(6-13)7(2)10(4,11)12/h6,13-14H,3,5H2,1-2,4H3/b9-7-,13-6+.
What are the key properties of (3E)-N-ethyl-5,5-difluoro-3-methanimidoyl-4-methylhexa-1,3-dien-2-amine?
(3E)-N-ethyl-5,5-difluoro-3-methanimidoyl-4-methylhexa-1,3-dien-2-amine has a molecular weight of 202.25 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethyl-5,5-difluoro-3-methanimidoyl-4-methylhexa-1,3-dien-2-amine is sourced from PubChem (CID 134466394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).