(Z)-2-[4-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine

C14H24FN5 — CID 153331123

IUPAC(Z)-2-[4-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1NC(C)CN(C(=N/C)/C(F)=C\C)C1C
InChIInChI=1S/C14H24FN5/c1-5-12(15)14(18-4)20-8-9(2)19-13(10(20)3)11(6-16)7-17/h5-7,9-10,13,16,19H,8,17H2,1-4H3/b11-7+,12-5+,16-6+,18-14+
InChIKeyCIFIZVVWAWTMJO-JLTNLHQGSA-N
MW281.38 g/mol
LogP1.43
Rot. Bonds3

About (Z)-2-[4-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine

(Z)-2-[4-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine (PubChem CID 153331123) has the molecular formula C14H24FN5 and a molecular weight of 281.38 g/mol. Its IUPAC name is (Z)-2-[4-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[4-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine
PubChem CID153331123
Molecular FormulaC14H24FN5
Molecular Weight281.38 g/mol
Exact Mass281.20
IUPAC Name(Z)-2-[4-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1NC(C)CN(C(=N/C)/C(F)=C\C)C1C
InChIInChI=1S/C14H24FN5/c1-5-12(15)14(18-4)20-8-9(2)19-13(10(20)3)11(6-16)7-17/h5-7,9-10,13,16,19H,8,17H2,1-4H3/b11-7+,12-5+,16-6+,18-14+
InChIKeyCIFIZVVWAWTMJO-JLTNLHQGSA-N
XLogP1.43
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[4-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine?
The IUPAC name of (Z)-2-[4-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine (CID 153331123) is (Z)-2-[4-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-[4-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-2-[4-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine is [H]/N=C/C(=C\N)C1NC(C)CN(C(=N/C)/C(F)=C\C)C1C.
What is the InChIKey of (Z)-2-[4-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine?
The InChIKey is CIFIZVVWAWTMJO-JLTNLHQGSA-N. The full InChI is InChI=1S/C14H24FN5/c1-5-12(15)14(18-4)20-8-9(2)19-13(10(20)3)11(6-16)7-17/h5-7,9-10,13,16,19H,8,17H2,1-4H3/b11-7+,12-5+,16-6+,18-14+.
What are the key properties of (Z)-2-[4-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine?
(Z)-2-[4-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine has a molecular weight of 281.38 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[4-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 153331123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).