(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride

C10H18FN3 — CID 172632014

IUPAC(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride
SMILESC=C(C)/C(F)=N\C(=C)N(C)CCNC
InChIInChI=1S/C10H18FN3/c1-8(2)10(11)13-9(3)14(5)7-6-12-4/h12H,1,3,6-7H2,2,4-5H3/b13-10+
InChIKeyLZWPWXAVLSPYFV-JLHYYAGUSA-N
MW199.27 g/mol
LogP1.55
Rot. Bonds6

About (1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride

(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride (PubChem CID 172632014) has the molecular formula C10H18FN3 and a molecular weight of 199.27 g/mol. Its IUPAC name is (1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride.

Molecular Properties

Compound Name(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride
PubChem CID172632014
Molecular FormulaC10H18FN3
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC Name(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride
SMILESC=C(C)/C(F)=N\C(=C)N(C)CCNC
InChIInChI=1S/C10H18FN3/c1-8(2)10(11)13-9(3)14(5)7-6-12-4/h12H,1,3,6-7H2,2,4-5H3/b13-10+
InChIKeyLZWPWXAVLSPYFV-JLHYYAGUSA-N
XLogP1.55
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[1-(2-fluoroethylamino)ethenylimino]-2-methylprop-1-en-1-amine
CID 173383044
(1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride
CID 172631824
N,N'-dimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 143011684
ethane;N-ethyl-1-[(Z)-2-methylprop-2-enylideneamino]ethenamine;propane
CID 168223633
(1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride;ethane
CID 172631823
ethane;(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride
CID 172632013

Frequently Asked Questions

What is the IUPAC name of (1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride?
The IUPAC name of (1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride (CID 172632014) is (1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride.
What is the SMILES notation for (1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride?
The canonical SMILES for (1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride is C=C(C)/C(F)=N\C(=C)N(C)CCNC.
What is the InChIKey of (1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride?
The InChIKey is LZWPWXAVLSPYFV-JLHYYAGUSA-N. The full InChI is InChI=1S/C10H18FN3/c1-8(2)10(11)13-9(3)14(5)7-6-12-4/h12H,1,3,6-7H2,2,4-5H3/b13-10+.
What are the key properties of (1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride?
(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride has a molecular weight of 199.27 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride is sourced from PubChem (CID 172632014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).