N'-[(E)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;hydrochloride

C10H21ClFN3 — CID 91238353

IUPACN'-[(E)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;hydrochloride
SMILESC/C(N)=N\C/C=C(/F)CCC(C)(C)N.Cl
InChIInChI=1S/C10H20FN3.ClH/c1-8(12)14-7-5-9(11)4-6-10(2,3)13;/h5H,4,6-7,13H2,1-3H3,(H2,12,14);1H/b9-5+;
InChIKeyBPARFMZTRNQAAL-SZKNIZGXSA-N
MW237.75 g/mol
LogP2.16
Rot. Bonds5

About N'-[(E)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;hydrochloride

N'-[(E)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;hydrochloride (PubChem CID 91238353) has the molecular formula C10H21ClFN3 and a molecular weight of 237.75 g/mol. Its IUPAC name is N'-[(E)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-[(E)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;hydrochloride
PubChem CID91238353
Molecular FormulaC10H21ClFN3
Molecular Weight237.75 g/mol
Exact Mass237.14
IUPAC NameN'-[(E)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;hydrochloride
SMILESC/C(N)=N\C/C=C(/F)CCC(C)(C)N.Cl
InChIInChI=1S/C10H20FN3.ClH/c1-8(12)14-7-5-9(11)4-6-10(2,3)13;/h5H,4,6-7,13H2,1-3H3,(H2,12,14);1H/b9-5+;
InChIKeyBPARFMZTRNQAAL-SZKNIZGXSA-N
XLogP2.16
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.75
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide
CID 60008710
N'-[(Z)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide
CID 60008724
N'-[(Z)-6-amino-2-fluorohept-2-enyl]ethanimidamide
CID 87427491
N'-[(E)-6-amino-2-fluoro-6-methylhept-2-enyl]ethanimidamide
CID 87954620
N'-[(Z)-6-amino-2-fluoro-6-methylhept-2-enyl]ethanimidamide
CID 87954621
N'-[(Z)-6-amino-2,3-difluoro-6-methylhept-2-enyl]ethanimidamide
CID 87954903
N'-[(E,6R)-6-amino-2-fluorohept-2-enyl]ethanimidamide
CID 141078393
N'-[(E,6S)-6-amino-2-fluorohept-2-enyl]ethanimidamide
CID 141082217
N'-[(Z)-5-amino-3-fluoro-5-methylhex-3-enyl]ethanimidamide
CID 142124995
N'-[(3Z,4Z,6E)-6-fluoro-4-methyl-3-propylideneocta-4,6-dien-2-yl]ethanimidamide
CID 155728926
N'-[(E)-6-amino-2-fluorohept-2-enyl]ethanimidamide
CID 142831814
N'-[(E)-6-amino-6-methylhept-2-enyl]ethanimidamide
CID 21017911

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;hydrochloride?
The IUPAC name of N'-[(E)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;hydrochloride (CID 91238353) is N'-[(E)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;hydrochloride.
What is the SMILES notation for N'-[(E)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;hydrochloride?
The canonical SMILES for N'-[(E)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;hydrochloride is C/C(N)=N\C/C=C(/F)CCC(C)(C)N.Cl.
What is the InChIKey of N'-[(E)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;hydrochloride?
The InChIKey is BPARFMZTRNQAAL-SZKNIZGXSA-N. The full InChI is InChI=1S/C10H20FN3.ClH/c1-8(12)14-7-5-9(11)4-6-10(2,3)13;/h5H,4,6-7,13H2,1-3H3,(H2,12,14);1H/b9-5+;.
What are the key properties of N'-[(E)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;hydrochloride?
N'-[(E)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;hydrochloride has a molecular weight of 237.75 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;hydrochloride is sourced from PubChem (CID 91238353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).