4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine

C12H22FN3 — CID 142562639

IUPAC4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine
SMILESC/C=C\C(CNCC1CCC(N)CC1)=N\F
InChIInChI=1S/C12H22FN3/c1-2-3-12(16-13)9-15-8-10-4-6-11(14)7-5-10/h2-3,10-11,15H,4-9,14H2,1H3/b3-2-,16-12-
InChIKeyXNVCLVAFESPIOX-NQISXPPASA-N
MW227.33 g/mol
LogP2.00
Rot. Bonds5

About 4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine

4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine (PubChem CID 142562639) has the molecular formula C12H22FN3 and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine
PubChem CID142562639
Molecular FormulaC12H22FN3
Molecular Weight227.33 g/mol
Exact Mass227.18
IUPAC Name4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine
SMILESC/C=C\C(CNCC1CCC(N)CC1)=N\F
InChIInChI=1S/C12H22FN3/c1-2-3-12(16-13)9-15-8-10-4-6-11(14)7-5-10/h2-3,10-11,15H,4-9,14H2,1H3/b3-2-,16-12-
InChIKeyXNVCLVAFESPIOX-NQISXPPASA-N
XLogP2.00
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine (CID 142562639) is 4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine is C/C=C\C(CNCC1CCC(N)CC1)=N\F.
What is the InChIKey of 4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine?
The InChIKey is XNVCLVAFESPIOX-NQISXPPASA-N. The full InChI is InChI=1S/C12H22FN3/c1-2-3-12(16-13)9-15-8-10-4-6-11(14)7-5-10/h2-3,10-11,15H,4-9,14H2,1H3/b3-2-,16-12-.
What are the key properties of 4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine?
4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine has a molecular weight of 227.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 142562639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).