N'-[(3E)-2-fluoropenta-1,3-dien-3-yl]-N-methylethane-1,2-diamine

C8H15FN2 — CID 163756077

IUPACN'-[(3E)-2-fluoropenta-1,3-dien-3-yl]-N-methylethane-1,2-diamine
SMILESC=C(F)/C(=C\C)NCCNC
InChIInChI=1S/C8H15FN2/c1-4-8(7(2)9)11-6-5-10-3/h4,10-11H,2,5-6H2,1,3H3/b8-4+
InChIKeyLUDSTFBYTBMRLG-XBXARRHUSA-N
MW158.22 g/mol
LogP1.18
Rot. Bonds5

About N'-[(3E)-2-fluoropenta-1,3-dien-3-yl]-N-methylethane-1,2-diamine

N'-[(3E)-2-fluoropenta-1,3-dien-3-yl]-N-methylethane-1,2-diamine (PubChem CID 163756077) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is N'-[(3E)-2-fluoropenta-1,3-dien-3-yl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3E)-2-fluoropenta-1,3-dien-3-yl]-N-methylethane-1,2-diamine
PubChem CID163756077
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC NameN'-[(3E)-2-fluoropenta-1,3-dien-3-yl]-N-methylethane-1,2-diamine
SMILESC=C(F)/C(=C\C)NCCNC
InChIInChI=1S/C8H15FN2/c1-4-8(7(2)9)11-6-5-10-3/h4,10-11H,2,5-6H2,1,3H3/b8-4+
InChIKeyLUDSTFBYTBMRLG-XBXARRHUSA-N
XLogP1.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(3E)-2-fluoropenta-1,3-dien-3-yl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[(3E)-2-fluoropenta-1,3-dien-3-yl]-N-methylethane-1,2-diamine (CID 163756077) is N'-[(3E)-2-fluoropenta-1,3-dien-3-yl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(3E)-2-fluoropenta-1,3-dien-3-yl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[(3E)-2-fluoropenta-1,3-dien-3-yl]-N-methylethane-1,2-diamine is C=C(F)/C(=C\C)NCCNC.
What is the InChIKey of N'-[(3E)-2-fluoropenta-1,3-dien-3-yl]-N-methylethane-1,2-diamine?
The InChIKey is LUDSTFBYTBMRLG-XBXARRHUSA-N. The full InChI is InChI=1S/C8H15FN2/c1-4-8(7(2)9)11-6-5-10-3/h4,10-11H,2,5-6H2,1,3H3/b8-4+.
What are the key properties of N'-[(3E)-2-fluoropenta-1,3-dien-3-yl]-N-methylethane-1,2-diamine?
N'-[(3E)-2-fluoropenta-1,3-dien-3-yl]-N-methylethane-1,2-diamine has a molecular weight of 158.22 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3E)-2-fluoropenta-1,3-dien-3-yl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 163756077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).