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

C12H24FN3 — CID 172632013

IUPACethane;(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.CC
InChIInChI=1S/C10H18FN3.C2H6/c1-8(2)10(11)13-9(3)14(5)7-6-12-4;1-2/h12H,1,3,6-7H2,2,4-5H3;1-2H3/b13-10+;
InChIKeyNDUHXUWQMSGUNN-RSGUCCNWSA-N
MW229.34 g/mol
LogP2.58
Rot. Bonds6

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

ethane;(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride (PubChem CID 172632013) has the molecular formula C12H24FN3 and a molecular weight of 229.34 g/mol. Its IUPAC name is ethane;(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride.

Molecular Properties

Compound Nameethane;(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride
PubChem CID172632013
Molecular FormulaC12H24FN3
Molecular Weight229.34 g/mol
Exact Mass229.20
IUPAC Nameethane;(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.CC
InChIInChI=1S/C10H18FN3.C2H6/c1-8(2)10(11)13-9(3)14(5)7-6-12-4;1-2/h12H,1,3,6-7H2,2,4-5H3;1-2H3/b13-10+;
InChIKeyNDUHXUWQMSGUNN-RSGUCCNWSA-N
XLogP2.58
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.58
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

ethane;N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 143846291
N'-buta-1,3-dien-2-yl-N,N'-dimethylethane-1,2-diamine;ethane;(3Z)-penta-1,3-diene
CID 143050998
(5E)-5-N-methyl-5-N-[2-(methylamino)ethyl]hepta-1,5-diene-2,5-diamine
CID 178081175
N'-[(2E,4E)-5-bromohexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine;ethane
CID 145385176
methyl-[2-(methylamino)ethyl]carbamothioic S-acid
CID 55299053
2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]acetamide
CID 87509746
N'-[(3E)-3-chlorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 142349508
2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienal
CID 123169472
(1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine
CID 134406241
methyl-[2-(methylamino)ethyl]carbamic acid;2-methylpropane
CID 161126143
methane;N-methyl-2-(methylamino)-N-[2-(methylamino)ethyl]acetamide
CID 160845776
ethane;propane;N,N',N'-trimethylethane-1,2-diamine
CID 143559684

Frequently Asked Questions

What is the IUPAC name of ethane;(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride?
The IUPAC name of ethane;(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride (CID 172632013) is ethane;(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride.
What is the SMILES notation for ethane;(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride?
The canonical SMILES for ethane;(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.CC.
What is the InChIKey of ethane;(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride?
The InChIKey is NDUHXUWQMSGUNN-RSGUCCNWSA-N. The full InChI is InChI=1S/C10H18FN3.C2H6/c1-8(2)10(11)13-9(3)14(5)7-6-12-4;1-2/h12H,1,3,6-7H2,2,4-5H3;1-2H3/b13-10+;.
What are the key properties of ethane;(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride?
ethane;(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride has a molecular weight of 229.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride is sourced from PubChem (CID 172632013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).