N'-butan-2-yl-N'-[(3Z)-5-fluoropenta-1,3-dien-2-yl]ethane-1,2-diamine

C11H21FN2 — CID 166785642

IUPACN'-butan-2-yl-N'-[(3Z)-5-fluoropenta-1,3-dien-2-yl]ethane-1,2-diamine
SMILESC=C(/C=C\CF)N(CCN)C(C)CC
InChIInChI=1S/C11H21FN2/c1-4-10(2)14(9-8-13)11(3)6-5-7-12/h5-6,10H,3-4,7-9,13H2,1-2H3/b6-5-
InChIKeyXLBUEFSKZUIWBP-WAYWQWQTSA-N
MW200.30 g/mol
LogP2.09
Rot. Bonds7

About N'-butan-2-yl-N'-[(3Z)-5-fluoropenta-1,3-dien-2-yl]ethane-1,2-diamine

N'-butan-2-yl-N'-[(3Z)-5-fluoropenta-1,3-dien-2-yl]ethane-1,2-diamine (PubChem CID 166785642) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is N'-butan-2-yl-N'-[(3Z)-5-fluoropenta-1,3-dien-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-[(3Z)-5-fluoropenta-1,3-dien-2-yl]ethane-1,2-diamine
PubChem CID166785642
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC NameN'-butan-2-yl-N'-[(3Z)-5-fluoropenta-1,3-dien-2-yl]ethane-1,2-diamine
SMILESC=C(/C=C\CF)N(CCN)C(C)CC
InChIInChI=1S/C11H21FN2/c1-4-10(2)14(9-8-13)11(3)6-5-7-12/h5-6,10H,3-4,7-9,13H2,1-2H3/b6-5-
InChIKeyXLBUEFSKZUIWBP-WAYWQWQTSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-butan-2-yl-N'-[(3Z)-5-fluoropenta-1,3-dien-2-yl]ethane-1,2-diamine with MolForge

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Related Compounds

(2S)-1-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-2-methylpiperazine
CID 129212975
N'-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099602
N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine
CID 143191827
N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 143846292
(2E,4E)-4-N-ethyl-3-fluoro-4-N-propylhepta-2,4,6-triene-1,4-diamine
CID 144225593
2-N-[(3Z)-5-bromohexa-1,3,5-trien-2-yl]-3,3-difluoro-1-N,2-N-dimethylpropane-1,2-diamine
CID 145385253
N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 145468344
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylpyrrolidin-3-amine
CID 168988182
N'-[(2E,4Z)-6-fluoro-5-methylhexa-2,4-dien-3-yl]ethane-1,2-diamine
CID 174289613
(Z)-1-N-[(1E,3E,5E)-1-(ethylamino)-6-fluorohepta-1,3,5-trien-4-yl]-3-N-methylprop-1-ene-1,2,3-triamine
CID 142263684
N'-ethyl-N'-[(2Z,4Z)-2-fluorohepta-2,4,6-trien-3-yl]-N-methylethane-1,2-diamine
CID 142272191
N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 143287780

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-[(3Z)-5-fluoropenta-1,3-dien-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N'-[(3Z)-5-fluoropenta-1,3-dien-2-yl]ethane-1,2-diamine (CID 166785642) is N'-butan-2-yl-N'-[(3Z)-5-fluoropenta-1,3-dien-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-[(3Z)-5-fluoropenta-1,3-dien-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N'-[(3Z)-5-fluoropenta-1,3-dien-2-yl]ethane-1,2-diamine is C=C(/C=C\CF)N(CCN)C(C)CC.
What is the InChIKey of N'-butan-2-yl-N'-[(3Z)-5-fluoropenta-1,3-dien-2-yl]ethane-1,2-diamine?
The InChIKey is XLBUEFSKZUIWBP-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H21FN2/c1-4-10(2)14(9-8-13)11(3)6-5-7-12/h5-6,10H,3-4,7-9,13H2,1-2H3/b6-5-.
What are the key properties of N'-butan-2-yl-N'-[(3Z)-5-fluoropenta-1,3-dien-2-yl]ethane-1,2-diamine?
N'-butan-2-yl-N'-[(3Z)-5-fluoropenta-1,3-dien-2-yl]ethane-1,2-diamine has a molecular weight of 200.30 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-[(3Z)-5-fluoropenta-1,3-dien-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 166785642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).