(E)-1-N-ethenyl-3-imino-1-N-methyl-1-(1,1,1-trifluoropropan-2-ylideneamino)but-1-ene-1,2-diamine

C10H15F3N4 — CID 174342694

IUPAC(E)-1-N-ethenyl-3-imino-1-N-methyl-1-(1,1,1-trifluoropropan-2-ylideneamino)but-1-ene-1,2-diamine
SMILES[H]/N=C(C)/C(N)=C(\N=C(C)C(F)(F)F)N(C)C=C
InChIInChI=1S/C10H15F3N4/c1-5-17(4)9(8(15)6(2)14)16-7(3)10(11,12)13/h5,14H,1,15H2,2-4H3/b9-8-,14-6+,16-7?
InChIKeyHHVLUPFBEIEAMD-IHDFNXRSSA-N
MW248.25 g/mol
LogP2.25
Rot. Bonds4

About (E)-1-N-ethenyl-3-imino-1-N-methyl-1-(1,1,1-trifluoropropan-2-ylideneamino)but-1-ene-1,2-diamine

(E)-1-N-ethenyl-3-imino-1-N-methyl-1-(1,1,1-trifluoropropan-2-ylideneamino)but-1-ene-1,2-diamine (PubChem CID 174342694) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is (E)-1-N-ethenyl-3-imino-1-N-methyl-1-(1,1,1-trifluoropropan-2-ylideneamino)but-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-N-ethenyl-3-imino-1-N-methyl-1-(1,1,1-trifluoropropan-2-ylideneamino)but-1-ene-1,2-diamine
PubChem CID174342694
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name(E)-1-N-ethenyl-3-imino-1-N-methyl-1-(1,1,1-trifluoropropan-2-ylideneamino)but-1-ene-1,2-diamine
SMILES[H]/N=C(C)/C(N)=C(\N=C(C)C(F)(F)F)N(C)C=C
InChIInChI=1S/C10H15F3N4/c1-5-17(4)9(8(15)6(2)14)16-7(3)10(11,12)13/h5,14H,1,15H2,2-4H3/b9-8-,14-6+,16-7?
InChIKeyHHVLUPFBEIEAMD-IHDFNXRSSA-N
XLogP2.25
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N-ethenyl-3-imino-1-N-methyl-1-(1,1,1-trifluoropropan-2-ylideneamino)but-1-ene-1,2-diamine?
The IUPAC name of (E)-1-N-ethenyl-3-imino-1-N-methyl-1-(1,1,1-trifluoropropan-2-ylideneamino)but-1-ene-1,2-diamine (CID 174342694) is (E)-1-N-ethenyl-3-imino-1-N-methyl-1-(1,1,1-trifluoropropan-2-ylideneamino)but-1-ene-1,2-diamine.
What is the SMILES notation for (E)-1-N-ethenyl-3-imino-1-N-methyl-1-(1,1,1-trifluoropropan-2-ylideneamino)but-1-ene-1,2-diamine?
The canonical SMILES for (E)-1-N-ethenyl-3-imino-1-N-methyl-1-(1,1,1-trifluoropropan-2-ylideneamino)but-1-ene-1,2-diamine is [H]/N=C(C)/C(N)=C(\N=C(C)C(F)(F)F)N(C)C=C.
What is the InChIKey of (E)-1-N-ethenyl-3-imino-1-N-methyl-1-(1,1,1-trifluoropropan-2-ylideneamino)but-1-ene-1,2-diamine?
The InChIKey is HHVLUPFBEIEAMD-IHDFNXRSSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-5-17(4)9(8(15)6(2)14)16-7(3)10(11,12)13/h5,14H,1,15H2,2-4H3/b9-8-,14-6+,16-7?.
What are the key properties of (E)-1-N-ethenyl-3-imino-1-N-methyl-1-(1,1,1-trifluoropropan-2-ylideneamino)but-1-ene-1,2-diamine?
(E)-1-N-ethenyl-3-imino-1-N-methyl-1-(1,1,1-trifluoropropan-2-ylideneamino)but-1-ene-1,2-diamine has a molecular weight of 248.25 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N-ethenyl-3-imino-1-N-methyl-1-(1,1,1-trifluoropropan-2-ylideneamino)but-1-ene-1,2-diamine is sourced from PubChem (CID 174342694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).