ethane;(1E,3E)-N-[(Z)-ethylideneamino]-N,2,3,4-tetramethylhexa-1,3,5-trien-1-amine

C14H26N2 — CID 163375989

IUPACethane;(1E,3E)-N-[(Z)-ethylideneamino]-N,2,3,4-tetramethylhexa-1,3,5-trien-1-amine
SMILESC=C/C(C)=C(C)/C(C)=C/N(C)/N=C\C.CC
InChIInChI=1S/C12H20N2.C2H6/c1-7-10(3)12(5)11(4)9-14(6)13-8-2;1-2/h7-9H,1H2,2-6H3;1-2H3/b11-9+,12-10+,13-8-;
InChIKeyVTGSIHSBBRXUEQ-KQGCUNSOSA-N
MW222.38 g/mol
LogP4.38
Rot. Bonds4

About ethane;(1E,3E)-N-[(Z)-ethylideneamino]-N,2,3,4-tetramethylhexa-1,3,5-trien-1-amine

ethane;(1E,3E)-N-[(Z)-ethylideneamino]-N,2,3,4-tetramethylhexa-1,3,5-trien-1-amine (PubChem CID 163375989) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is ethane;(1E,3E)-N-[(Z)-ethylideneamino]-N,2,3,4-tetramethylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Nameethane;(1E,3E)-N-[(Z)-ethylideneamino]-N,2,3,4-tetramethylhexa-1,3,5-trien-1-amine
PubChem CID163375989
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Nameethane;(1E,3E)-N-[(Z)-ethylideneamino]-N,2,3,4-tetramethylhexa-1,3,5-trien-1-amine
SMILESC=C/C(C)=C(C)/C(C)=C/N(C)/N=C\C.CC
InChIInChI=1S/C12H20N2.C2H6/c1-7-10(3)12(5)11(4)9-14(6)13-8-2;1-2/h7-9H,1H2,2-6H3;1-2H3/b11-9+,12-10+,13-8-;
InChIKeyVTGSIHSBBRXUEQ-KQGCUNSOSA-N
XLogP4.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(1E,3E)-N-[(Z)-ethylideneamino]-N,2,3,4-tetramethylhexa-1,3,5-trien-1-amine?
The IUPAC name of ethane;(1E,3E)-N-[(Z)-ethylideneamino]-N,2,3,4-tetramethylhexa-1,3,5-trien-1-amine (CID 163375989) is ethane;(1E,3E)-N-[(Z)-ethylideneamino]-N,2,3,4-tetramethylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for ethane;(1E,3E)-N-[(Z)-ethylideneamino]-N,2,3,4-tetramethylhexa-1,3,5-trien-1-amine?
The canonical SMILES for ethane;(1E,3E)-N-[(Z)-ethylideneamino]-N,2,3,4-tetramethylhexa-1,3,5-trien-1-amine is C=C/C(C)=C(C)/C(C)=C/N(C)/N=C\C.CC.
What is the InChIKey of ethane;(1E,3E)-N-[(Z)-ethylideneamino]-N,2,3,4-tetramethylhexa-1,3,5-trien-1-amine?
The InChIKey is VTGSIHSBBRXUEQ-KQGCUNSOSA-N. The full InChI is InChI=1S/C12H20N2.C2H6/c1-7-10(3)12(5)11(4)9-14(6)13-8-2;1-2/h7-9H,1H2,2-6H3;1-2H3/b11-9+,12-10+,13-8-;.
What are the key properties of ethane;(1E,3E)-N-[(Z)-ethylideneamino]-N,2,3,4-tetramethylhexa-1,3,5-trien-1-amine?
ethane;(1E,3E)-N-[(Z)-ethylideneamino]-N,2,3,4-tetramethylhexa-1,3,5-trien-1-amine has a molecular weight of 222.38 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1E,3E)-N-[(Z)-ethylideneamino]-N,2,3,4-tetramethylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 163375989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).