2-(4-aminohepta-3,5-dienyl)guanidine

C8H16N4 — CID 88665235

IUPAC2-(4-aminohepta-3,5-dienyl)guanidine
SMILESCC=CC(N)=CCCN=C(N)N
InChIInChI=1S/C8H16N4/c1-2-4-7(9)5-3-6-12-8(10)11/h2,4-5H,3,6,9H2,1H3,(H4,10,11,12)
InChIKeyFOFGRACYGRTWKL-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.07
Rot. Bonds4

About 2-(4-aminohepta-3,5-dienyl)guanidine

2-(4-aminohepta-3,5-dienyl)guanidine (PubChem CID 88665235) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(4-aminohepta-3,5-dienyl)guanidine.

Molecular Properties

Compound Name2-(4-aminohepta-3,5-dienyl)guanidine
PubChem CID88665235
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-(4-aminohepta-3,5-dienyl)guanidine
SMILESCC=CC(N)=CCCN=C(N)N
InChIInChI=1S/C8H16N4/c1-2-4-7(9)5-3-6-12-8(10)11/h2,4-5H,3,6,9H2,1H3,(H4,10,11,12)
InChIKeyFOFGRACYGRTWKL-UHFFFAOYSA-N
XLogP0.07
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-7-methylocta-2,4,7-trien-4-amine
CID 89010551
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
2-(3-hydroxyiminopropyl)guanidine
CID 86698933
(2Z)-2-[3-(diaminomethylideneamino)propylidene]butanedioic acid
CID 25110755
(2Z,4E,6E)-octa-2,4,6-trien-4-amine
CID 89113450
2-(3-hydroxypropyl)guanidine;hydrochloride
CID 118321819
nona-3,5-dien-5-amine
CID 173041910
2-[2-(2-hydroxypropan-2-yloxy)ethyl]guanidine
CID 118327794
(2Z,4E)-6-methyliminohepta-2,4-dien-4-amine
CID 138740142
(E)-7-(diaminomethylideneamino)hept-2-enamide
CID 13273202
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
(E)-N'-aminobut-2-enimidamide
CID 142083872

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminohepta-3,5-dienyl)guanidine?
The IUPAC name of 2-(4-aminohepta-3,5-dienyl)guanidine (CID 88665235) is 2-(4-aminohepta-3,5-dienyl)guanidine.
What is the SMILES notation for 2-(4-aminohepta-3,5-dienyl)guanidine?
The canonical SMILES for 2-(4-aminohepta-3,5-dienyl)guanidine is CC=CC(N)=CCCN=C(N)N.
What is the InChIKey of 2-(4-aminohepta-3,5-dienyl)guanidine?
The InChIKey is FOFGRACYGRTWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-2-4-7(9)5-3-6-12-8(10)11/h2,4-5H,3,6,9H2,1H3,(H4,10,11,12).
What are the key properties of 2-(4-aminohepta-3,5-dienyl)guanidine?
2-(4-aminohepta-3,5-dienyl)guanidine has a molecular weight of 168.24 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminohepta-3,5-dienyl)guanidine is sourced from PubChem (CID 88665235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).