N'-[(2Z,4Z)-3-(1-aminoethenyl)-6-ethyl-4,7-dimethylocta-2,4-dien-2-yl]ethanimidamide

C16H29N3 — CID 170179510

IUPACN'-[(2Z,4Z)-3-(1-aminoethenyl)-6-ethyl-4,7-dimethylocta-2,4-dien-2-yl]ethanimidamide
SMILESC=C(N)C(/C(C)=C\C(CC)C(C)C)=C(C)\N=C(/C)N
InChIInChI=1S/C16H29N3/c1-8-15(10(2)3)9-11(4)16(12(5)17)13(6)19-14(7)18/h9-10,15H,5,8,17H2,1-4,6-7H3,(H2,18,19)/b11-9-,16-13-
InChIKeyRAOPBLFDFCMMQE-SQHGXFKPSA-N
MW263.43 g/mol
LogP3.74
Rot. Bonds6

About N'-[(2Z,4Z)-3-(1-aminoethenyl)-6-ethyl-4,7-dimethylocta-2,4-dien-2-yl]ethanimidamide

N'-[(2Z,4Z)-3-(1-aminoethenyl)-6-ethyl-4,7-dimethylocta-2,4-dien-2-yl]ethanimidamide (PubChem CID 170179510) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N'-[(2Z,4Z)-3-(1-aminoethenyl)-6-ethyl-4,7-dimethylocta-2,4-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(2Z,4Z)-3-(1-aminoethenyl)-6-ethyl-4,7-dimethylocta-2,4-dien-2-yl]ethanimidamide
PubChem CID170179510
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN'-[(2Z,4Z)-3-(1-aminoethenyl)-6-ethyl-4,7-dimethylocta-2,4-dien-2-yl]ethanimidamide
SMILESC=C(N)C(/C(C)=C\C(CC)C(C)C)=C(C)\N=C(/C)N
InChIInChI=1S/C16H29N3/c1-8-15(10(2)3)9-11(4)16(12(5)17)13(6)19-14(7)18/h9-10,15H,5,8,17H2,1-4,6-7H3,(H2,18,19)/b11-9-,16-13-
InChIKeyRAOPBLFDFCMMQE-SQHGXFKPSA-N
XLogP3.74
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2Z,4Z)-3-(1-aminoethenyl)-6-ethyl-4,7-dimethylocta-2,4-dien-2-yl]ethanimidamide?
The IUPAC name of N'-[(2Z,4Z)-3-(1-aminoethenyl)-6-ethyl-4,7-dimethylocta-2,4-dien-2-yl]ethanimidamide (CID 170179510) is N'-[(2Z,4Z)-3-(1-aminoethenyl)-6-ethyl-4,7-dimethylocta-2,4-dien-2-yl]ethanimidamide.
What is the SMILES notation for N'-[(2Z,4Z)-3-(1-aminoethenyl)-6-ethyl-4,7-dimethylocta-2,4-dien-2-yl]ethanimidamide?
The canonical SMILES for N'-[(2Z,4Z)-3-(1-aminoethenyl)-6-ethyl-4,7-dimethylocta-2,4-dien-2-yl]ethanimidamide is C=C(N)C(/C(C)=C\C(CC)C(C)C)=C(C)\N=C(/C)N.
What is the InChIKey of N'-[(2Z,4Z)-3-(1-aminoethenyl)-6-ethyl-4,7-dimethylocta-2,4-dien-2-yl]ethanimidamide?
The InChIKey is RAOPBLFDFCMMQE-SQHGXFKPSA-N. The full InChI is InChI=1S/C16H29N3/c1-8-15(10(2)3)9-11(4)16(12(5)17)13(6)19-14(7)18/h9-10,15H,5,8,17H2,1-4,6-7H3,(H2,18,19)/b11-9-,16-13-.
What are the key properties of N'-[(2Z,4Z)-3-(1-aminoethenyl)-6-ethyl-4,7-dimethylocta-2,4-dien-2-yl]ethanimidamide?
N'-[(2Z,4Z)-3-(1-aminoethenyl)-6-ethyl-4,7-dimethylocta-2,4-dien-2-yl]ethanimidamide has a molecular weight of 263.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2Z,4Z)-3-(1-aminoethenyl)-6-ethyl-4,7-dimethylocta-2,4-dien-2-yl]ethanimidamide is sourced from PubChem (CID 170179510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).