ethane;(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine

C11H19F3N2 — CID 142501226

IUPACethane;(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine
SMILESC=N/C(=C\C(C)=C/C)NCC(F)(F)F.CC
InChIInChI=1S/C9H13F3N2.C2H6/c1-4-7(2)5-8(13-3)14-6-9(10,11)12;1-2/h4-5,14H,3,6H2,1-2H3;1-2H3/b7-4-,8-5+;
InChIKeyGZGGRAZPOYVZMM-QMKOBIDDSA-N
MW236.28 g/mol
LogP3.67
Rot. Bonds4

About ethane;(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine

ethane;(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine (PubChem CID 142501226) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is ethane;(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine.

Molecular Properties

Compound Nameethane;(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine
PubChem CID142501226
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Nameethane;(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine
SMILESC=N/C(=C\C(C)=C/C)NCC(F)(F)F.CC
InChIInChI=1S/C9H13F3N2.C2H6/c1-4-7(2)5-8(13-3)14-6-9(10,11)12;1-2/h4-5,14H,3,6H2,1-2H3;1-2H3/b7-4-,8-5+;
InChIKeyGZGGRAZPOYVZMM-QMKOBIDDSA-N
XLogP3.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine with MolForge

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Related Compounds

Methylidene-propa-1,2-dienyl-[[(6,6,6-trifluoro-4-methylhexa-1,3-dienyl)amino]methyl]azanium
CID 123272404
(Z)-3-methylidene-1-(methylideneamino)-N-(3,3,3-trifluoropropyl)but-1-ene-1,4-diamine
CID 144980134
(3E)-5,5,5-trifluoro-1-N,1-N',3-trimethylpenta-1,3-diene-1,1-diamine
CID 167162117
(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine
CID 142501227
(1E,3Z)-N-ethyl-1-(methylideneamino)-2-(trifluoromethyl)penta-1,3-dien-1-amine
CID 142990915
(1E,3E)-1-N'-propyl-4-(trifluoromethyl)hexa-1,3-diene-1,1-diamine
CID 162563285

Frequently Asked Questions

What is the IUPAC name of ethane;(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine?
The IUPAC name of ethane;(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine (CID 142501226) is ethane;(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine.
What is the SMILES notation for ethane;(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine?
The canonical SMILES for ethane;(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine is C=N/C(=C\C(C)=C/C)NCC(F)(F)F.CC.
What is the InChIKey of ethane;(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine?
The InChIKey is GZGGRAZPOYVZMM-QMKOBIDDSA-N. The full InChI is InChI=1S/C9H13F3N2.C2H6/c1-4-7(2)5-8(13-3)14-6-9(10,11)12;1-2/h4-5,14H,3,6H2,1-2H3;1-2H3/b7-4-,8-5+;.
What are the key properties of ethane;(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine?
ethane;(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine has a molecular weight of 236.28 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine is sourced from PubChem (CID 142501226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).