N'-(2-aminoethyl)hexa-2,4,5-trienimidamide

C8H13N3 — CID 123830436

IUPACN'-(2-aminoethyl)hexa-2,4,5-trienimidamide
SMILESC=C=CC=C/C(N)=N\CCN
InChIInChI=1S/C8H13N3/c1-2-3-4-5-8(10)11-7-6-9/h3-5H,1,6-7,9H2,(H2,10,11)
InChIKeyBTYAJSPNSOWHNU-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.20
Rot. Bonds4

About N'-(2-aminoethyl)hexa-2,4,5-trienimidamide

N'-(2-aminoethyl)hexa-2,4,5-trienimidamide (PubChem CID 123830436) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N'-(2-aminoethyl)hexa-2,4,5-trienimidamide.

Molecular Properties

Compound NameN'-(2-aminoethyl)hexa-2,4,5-trienimidamide
PubChem CID123830436
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN'-(2-aminoethyl)hexa-2,4,5-trienimidamide
SMILESC=C=CC=C/C(N)=N\CCN
InChIInChI=1S/C8H13N3/c1-2-3-4-5-8(10)11-7-6-9/h3-5H,1,6-7,9H2,(H2,10,11)
InChIKeyBTYAJSPNSOWHNU-UHFFFAOYSA-N
XLogP0.20
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.20
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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Related Compounds

(2Z,4E)-N'-(2,2,2-trifluoroethyl)hepta-2,4,6-trienimidamide
CID 166776386
2H-azepin-7-amine
CID 18800627
N'-(2-aminoethyl)prop-2-enimidamide
CID 88827546
(2Z)-N'-methylhexa-2,4-dienimidamide
CID 89017380
(E)-N'-(4-aminobutyl)but-2-enimidamide
CID 90846036
N'-prop-2-enylprop-2-enimidamide
CID 123258044
(2Z)-N'-methylhexa-2,4,5-trienimidamide
CID 123347342
(E)-N'-ethylbut-2-enimidamide
CID 124181986
(2Z)-N'-ethenylpenta-2,4-dienimidamide
CID 126514165
(2Z)-N'-methylpenta-2,4-dienimidamide
CID 134342425
(2Z,4Z)-N'-methylhexa-2,4-dienimidamide
CID 137508577
ethane;(Z)-N'-ethylbut-2-enimidamide
CID 143124764

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)hexa-2,4,5-trienimidamide?
The IUPAC name of N'-(2-aminoethyl)hexa-2,4,5-trienimidamide (CID 123830436) is N'-(2-aminoethyl)hexa-2,4,5-trienimidamide.
What is the SMILES notation for N'-(2-aminoethyl)hexa-2,4,5-trienimidamide?
The canonical SMILES for N'-(2-aminoethyl)hexa-2,4,5-trienimidamide is C=C=CC=C/C(N)=N\CCN.
What is the InChIKey of N'-(2-aminoethyl)hexa-2,4,5-trienimidamide?
The InChIKey is BTYAJSPNSOWHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-3-4-5-8(10)11-7-6-9/h3-5H,1,6-7,9H2,(H2,10,11).
What are the key properties of N'-(2-aminoethyl)hexa-2,4,5-trienimidamide?
N'-(2-aminoethyl)hexa-2,4,5-trienimidamide has a molecular weight of 151.21 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)hexa-2,4,5-trienimidamide is sourced from PubChem (CID 123830436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).