N-[(Z)-[(E)-4-fluoro-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine

C8H15FN2S — CID 166922976

IUPACN-[(Z)-[(E)-4-fluoro-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine
SMILESC/C=C(F)\C(=N\NC)C(C)SC
InChIInChI=1S/C8H15FN2S/c1-5-7(9)8(11-10-3)6(2)12-4/h5-6,10H,1-4H3/b7-5+,11-8+
InChIKeyDNIJLJQYBQZAKW-PAQHSLSSSA-N
MW190.29 g/mol
LogP2.19
Rot. Bonds4

About N-[(Z)-[(E)-4-fluoro-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine

N-[(Z)-[(E)-4-fluoro-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine (PubChem CID 166922976) has the molecular formula C8H15FN2S and a molecular weight of 190.29 g/mol. Its IUPAC name is N-[(Z)-[(E)-4-fluoro-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(Z)-[(E)-4-fluoro-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine
PubChem CID166922976
Molecular FormulaC8H15FN2S
Molecular Weight190.29 g/mol
Exact Mass190.09
IUPAC NameN-[(Z)-[(E)-4-fluoro-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine
SMILESC/C=C(F)\C(=N\NC)C(C)SC
InChIInChI=1S/C8H15FN2S/c1-5-7(9)8(11-10-3)6(2)12-4/h5-6,10H,1-4H3/b7-5+,11-8+
InChIKeyDNIJLJQYBQZAKW-PAQHSLSSSA-N
XLogP2.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-4-fluoro-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine?
The IUPAC name of N-[(Z)-[(E)-4-fluoro-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine (CID 166922976) is N-[(Z)-[(E)-4-fluoro-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine.
What is the SMILES notation for N-[(Z)-[(E)-4-fluoro-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine?
The canonical SMILES for N-[(Z)-[(E)-4-fluoro-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine is C/C=C(F)\C(=N\NC)C(C)SC.
What is the InChIKey of N-[(Z)-[(E)-4-fluoro-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine?
The InChIKey is DNIJLJQYBQZAKW-PAQHSLSSSA-N. The full InChI is InChI=1S/C8H15FN2S/c1-5-7(9)8(11-10-3)6(2)12-4/h5-6,10H,1-4H3/b7-5+,11-8+.
What are the key properties of N-[(Z)-[(E)-4-fluoro-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine?
N-[(Z)-[(E)-4-fluoro-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine has a molecular weight of 190.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-4-fluoro-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine is sourced from PubChem (CID 166922976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).