(E)-N'-(4-aminobutyl)but-2-enimidamide

C8H17N3 — CID 90846036

IUPAC(E)-N'-(4-aminobutyl)but-2-enimidamide
SMILESC/C=C/C(N)=N/CCCCN
InChIInChI=1S/C8H17N3/c1-2-5-8(10)11-7-4-3-6-9/h2,5H,3-4,6-7,9H2,1H3,(H2,10,11)/b5-2+
InChIKeyLUJJWSRHRVAZBY-GORDUTHDSA-N
MW155.25 g/mol
LogP0.66
Rot. Bonds5

About (E)-N'-(4-aminobutyl)but-2-enimidamide

(E)-N'-(4-aminobutyl)but-2-enimidamide (PubChem CID 90846036) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is (E)-N'-(4-aminobutyl)but-2-enimidamide.

Molecular Properties

Compound Name(E)-N'-(4-aminobutyl)but-2-enimidamide
PubChem CID90846036
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name(E)-N'-(4-aminobutyl)but-2-enimidamide
SMILESC/C=C/C(N)=N/CCCCN
InChIInChI=1S/C8H17N3/c1-2-5-8(10)11-7-4-3-6-9/h2,5H,3-4,6-7,9H2,1H3,(H2,10,11)/b5-2+
InChIKeyLUJJWSRHRVAZBY-GORDUTHDSA-N
XLogP0.66
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.66
H-Bond Donors ≤ 52
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'}

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Related Compounds

(Z)-N'-(1-fluoroethyl)but-2-enimidamide
CID 163829755
(1E)-N'-(Prop-2-en-1-yl)ethanimidamide
CID 55220664
(Z)-N'-methylbut-2-enimidamide
CID 57611968
N'-propylprop-2-enimidamide
CID 90160257
N'-prop-2-enylprop-2-enimidamide
CID 123258044
(E)-N'-(1-aminoethyl)-N-(1-aminoethylidene)pent-2-enimidamide
CID 123439490
N'-(2-aminoethyl)hexa-2,4,5-trienimidamide
CID 123830436
(E)-N'-ethylbut-2-enimidamide
CID 124181986
N'-prop-2-enylbutanimidamide
CID 126992646
(E)-N'-(methyliminomethyl)but-2-enimidamide
CID 138528228
(Z)-N'-propan-2-ylbut-2-enimidamide
CID 139504821
ethane;N'-methylethanimidamide;prop-1-ene
CID 141948322

Frequently Asked Questions

What is the IUPAC name of (E)-N'-(4-aminobutyl)but-2-enimidamide?
The IUPAC name of (E)-N'-(4-aminobutyl)but-2-enimidamide (CID 90846036) is (E)-N'-(4-aminobutyl)but-2-enimidamide.
What is the SMILES notation for (E)-N'-(4-aminobutyl)but-2-enimidamide?
The canonical SMILES for (E)-N'-(4-aminobutyl)but-2-enimidamide is C/C=C/C(N)=N/CCCCN.
What is the InChIKey of (E)-N'-(4-aminobutyl)but-2-enimidamide?
The InChIKey is LUJJWSRHRVAZBY-GORDUTHDSA-N. The full InChI is InChI=1S/C8H17N3/c1-2-5-8(10)11-7-4-3-6-9/h2,5H,3-4,6-7,9H2,1H3,(H2,10,11)/b5-2+.
What are the key properties of (E)-N'-(4-aminobutyl)but-2-enimidamide?
(E)-N'-(4-aminobutyl)but-2-enimidamide has a molecular weight of 155.25 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(4-aminobutyl)but-2-enimidamide is sourced from PubChem (CID 90846036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).