ethane;(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine

C19H29F3N2 — CID 142297284

IUPACethane;(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine
SMILESC=C/C=C\C(=C(C)\C(N=C)=C(\C=C/CN)C(F)(F)F)C(C)C.CC
InChIInChI=1S/C17H23F3N2.C2H6/c1-6-7-9-14(12(2)3)13(4)16(22-5)15(10-8-11-21)17(18,19)20;1-2/h6-10,12H,1,5,11,21H2,2-4H3;1-2H3/b9-7-,10-8-,14-13-,16-15+;
InChIKeyMALKJZLJHPNTPO-XJLKRGECSA-N
MW342.45 g/mol
LogP5.76
Rot. Bonds7

About ethane;(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine

ethane;(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine (PubChem CID 142297284) has the molecular formula C19H29F3N2 and a molecular weight of 342.45 g/mol. Its IUPAC name is ethane;(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine.

Molecular Properties

Compound Nameethane;(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine
PubChem CID142297284
Molecular FormulaC19H29F3N2
Molecular Weight342.45 g/mol
Exact Mass342.23
IUPAC Nameethane;(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine
SMILESC=C/C=C\C(=C(C)\C(N=C)=C(\C=C/CN)C(F)(F)F)C(C)C.CC
InChIInChI=1S/C17H23F3N2.C2H6/c1-6-7-9-14(12(2)3)13(4)16(22-5)15(10-8-11-21)17(18,19)20;1-2/h6-10,12H,1,5,11,21H2,2-4H3;1-2H3/b9-7-,10-8-,14-13-,16-15+;
InChIKeyMALKJZLJHPNTPO-XJLKRGECSA-N
XLogP5.76
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.45
LogP ≤ 55.76
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;(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,6Z)-6-[(E)-1-fluoro-2-(methylideneamino)ethenyl]-5-propan-2-ylideneundeca-1,3,6,10-tetraen-3-amine
CID 134380590
N-[(2E,4Z,6E,7E)-6-ethylidene-9,9,9-trifluoro-4-methylnona-2,4,7-trien-5-yl]methanimine;2-methylbutane
CID 144320025
(2E,6Z)-2-(3,3-difluorobut-1-en-2-yl)-4,5-dimethylidene-8-(methylideneamino)nona-2,6,8-trien-1-amine
CID 166485412
(3Z,5E,7E)-4,5-bis(ethenyl)-9-fluoro-8-methyl-3-(methylideneamino)-2-[(Z)-prop-1-enyl]deca-3,5,7-trien-1-amine
CID 169623668
(2E,4Z,6Z,8Z)-8-N-ethyl-9-(methylideneamino)-4-prop-2-enylidene-1-N-[(Z)-3,3,3-trifluoro-1-(methylideneamino)prop-1-en-2-yl]undeca-2,6,8,10-tetraene-1,8-diamine
CID 170073122
(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine
CID 142297285
N-[(5E)-3-methyl-5-[(Z)-prop-1-enyl]-7-(trifluoromethyl)deca-3,5-dien-4-yl]methanimine
CID 156844013
2-Methylidene-5-[2-methyl-1-(methylideneamino)butylidene]nona-3,6-diene-1,9-diamine
CID 91266844
2-Butylidene-5-[1-(methylideneamino)ethylidene]nona-3,6-diene-1,9-diamine
CID 91291281
ethane;(2E)-3-fluoro-4,5-dimethylidene-2-(methylideneamino)hepta-2,6-dien-1-amine
CID 153350434
(3Z,5Z)-N-methyl-3-(methylideneamino)-6-propan-2-ylocta-1,3,5,7-tetraen-4-amine
CID 155330360
(2Z,4Z,6E,8E)-4-[(E)-but-2-enyl]-5-(methylideneamino)-6-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraen-1-amine
CID 163248349

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine?
The IUPAC name of ethane;(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine (CID 142297284) is ethane;(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine.
What is the SMILES notation for ethane;(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine?
The canonical SMILES for ethane;(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine is C=C/C=C\C(=C(C)\C(N=C)=C(\C=C/CN)C(F)(F)F)C(C)C.CC.
What is the InChIKey of ethane;(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine?
The InChIKey is MALKJZLJHPNTPO-XJLKRGECSA-N. The full InChI is InChI=1S/C17H23F3N2.C2H6/c1-6-7-9-14(12(2)3)13(4)16(22-5)15(10-8-11-21)17(18,19)20;1-2/h6-10,12H,1,5,11,21H2,2-4H3;1-2H3/b9-7-,10-8-,14-13-,16-15+;.
What are the key properties of ethane;(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine?
ethane;(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine has a molecular weight of 342.45 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4E,6E,8Z)-6-methyl-5-(methylideneamino)-7-propan-2-yl-4-(trifluoromethyl)undeca-2,4,6,8,10-pentaen-1-amine is sourced from PubChem (CID 142297284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).