N-ethyl-N'-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]methanediamine

C10H19FN2 — CID 163595306

IUPACN-ethyl-N'-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]methanediamine
SMILESC/C=C(CNCNCC)\C(F)=C/C
InChIInChI=1S/C10H19FN2/c1-4-9(10(11)5-2)7-13-8-12-6-3/h4-5,12-13H,6-8H2,1-3H3/b9-4-,10-5+
InChIKeyGSXVSCPYTLZUPM-DHPVUTNOSA-N
MW186.27 g/mol
LogP1.96
Rot. Bonds6

About N-ethyl-N'-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]methanediamine

N-ethyl-N'-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]methanediamine (PubChem CID 163595306) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is N-ethyl-N'-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]methanediamine.

Molecular Properties

Compound NameN-ethyl-N'-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]methanediamine
PubChem CID163595306
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC NameN-ethyl-N'-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]methanediamine
SMILESC/C=C(CNCNCC)\C(F)=C/C
InChIInChI=1S/C10H19FN2/c1-4-9(10(11)5-2)7-13-8-12-6-3/h4-5,12-13H,6-8H2,1-3H3/b9-4-,10-5+
InChIKeyGSXVSCPYTLZUPM-DHPVUTNOSA-N
XLogP1.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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(Z)-4-(ethylamino)but-2-en-1-ol
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(Z)-N-ethylundec-9-en-1-amine
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CID 143707502

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]methanediamine?
The IUPAC name of N-ethyl-N'-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]methanediamine (CID 163595306) is N-ethyl-N'-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]methanediamine.
What is the SMILES notation for N-ethyl-N'-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]methanediamine?
The canonical SMILES for N-ethyl-N'-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]methanediamine is C/C=C(CNCNCC)\C(F)=C/C.
What is the InChIKey of N-ethyl-N'-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]methanediamine?
The InChIKey is GSXVSCPYTLZUPM-DHPVUTNOSA-N. The full InChI is InChI=1S/C10H19FN2/c1-4-9(10(11)5-2)7-13-8-12-6-3/h4-5,12-13H,6-8H2,1-3H3/b9-4-,10-5+.
What are the key properties of N-ethyl-N'-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]methanediamine?
N-ethyl-N'-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]methanediamine has a molecular weight of 186.27 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]methanediamine is sourced from PubChem (CID 163595306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).