(3E,5E)-5-ethanimidoyl-N,N-dimethylhepta-1,3,5-trien-3-amine

C11H18N2 — CID 145050208

IUPAC(3E,5E)-5-ethanimidoyl-N,N-dimethylhepta-1,3,5-trien-3-amine
SMILES[H]/N=C(C)/C(=C/C)/C=C(\C=C)N(C)C
InChIInChI=1S/C11H18N2/c1-6-10(9(3)12)8-11(7-2)13(4)5/h6-8,12H,2H2,1,3-5H3/b10-6+,11-8+,12-9+
InChIKeyYHNMLYNYDHRXBE-NEGBKJGASA-N
MW178.28 g/mol
LogP2.60
Rot. Bonds4

About (3E,5E)-5-ethanimidoyl-N,N-dimethylhepta-1,3,5-trien-3-amine

(3E,5E)-5-ethanimidoyl-N,N-dimethylhepta-1,3,5-trien-3-amine (PubChem CID 145050208) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (3E,5E)-5-ethanimidoyl-N,N-dimethylhepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5E)-5-ethanimidoyl-N,N-dimethylhepta-1,3,5-trien-3-amine
PubChem CID145050208
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(3E,5E)-5-ethanimidoyl-N,N-dimethylhepta-1,3,5-trien-3-amine
SMILES[H]/N=C(C)/C(=C/C)/C=C(\C=C)N(C)C
InChIInChI=1S/C11H18N2/c1-6-10(9(3)12)8-11(7-2)13(4)5/h6-8,12H,2H2,1,3-5H3/b10-6+,11-8+,12-9+
InChIKeyYHNMLYNYDHRXBE-NEGBKJGASA-N
XLogP2.60
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.60
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'}

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Related Compounds

(3E)-3-ethenyl-5-methylhexa-3,5-dien-2-imine
CID 143846998
3-ethenyl-5-methylhepta-3,5-dien-2-imine
CID 90864895
3-ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
2-ethenyl-5-imino-4-methylidenehex-2-enoic acid
CID 123678860
(Z,5E)-5-ethylidenehept-3-ene-2,6-diimine
CID 123707511
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 143132046
(2E,4Z)-2-ethenyl-N,N,4-trimethylhexa-2,4-dienamide
CID 143013710
N,N-dimethyl-2-methylidenebut-3-enimidamide
CID 178095439
(2Z)-2-ethylidenepent-4-ene-1,3-diimine
CID 123930405
5-methylhexa-1,4-dien-3-imine
CID 130197601
(E)-4-imino-N,N-dimethylpent-2-en-2-amine
CID 123583193

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-5-ethanimidoyl-N,N-dimethylhepta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5E)-5-ethanimidoyl-N,N-dimethylhepta-1,3,5-trien-3-amine (CID 145050208) is (3E,5E)-5-ethanimidoyl-N,N-dimethylhepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5E)-5-ethanimidoyl-N,N-dimethylhepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5E)-5-ethanimidoyl-N,N-dimethylhepta-1,3,5-trien-3-amine is [H]/N=C(C)/C(=C/C)/C=C(\C=C)N(C)C.
What is the InChIKey of (3E,5E)-5-ethanimidoyl-N,N-dimethylhepta-1,3,5-trien-3-amine?
The InChIKey is YHNMLYNYDHRXBE-NEGBKJGASA-N. The full InChI is InChI=1S/C11H18N2/c1-6-10(9(3)12)8-11(7-2)13(4)5/h6-8,12H,2H2,1,3-5H3/b10-6+,11-8+,12-9+.
What are the key properties of (3E,5E)-5-ethanimidoyl-N,N-dimethylhepta-1,3,5-trien-3-amine?
(3E,5E)-5-ethanimidoyl-N,N-dimethylhepta-1,3,5-trien-3-amine has a molecular weight of 178.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-5-ethanimidoyl-N,N-dimethylhepta-1,3,5-trien-3-amine is sourced from PubChem (CID 145050208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).