N-buta-1,3-dien-2-yl-N'-(2-ethylbutyl)methanimidamide

C11H20N2 — CID 155480280

IUPACN-buta-1,3-dien-2-yl-N'-(2-ethylbutyl)methanimidamide
SMILESC=CC(=C)N/C=N/CC(CC)CC
InChIInChI=1S/C11H20N2/c1-5-10(4)13-9-12-8-11(6-2)7-3/h5,9,11H,1,4,6-8H2,2-3H3,(H,12,13)
InChIKeyOOAFJKRYDUPHQD-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.74
Rot. Bonds7

About N-buta-1,3-dien-2-yl-N'-(2-ethylbutyl)methanimidamide

N-buta-1,3-dien-2-yl-N'-(2-ethylbutyl)methanimidamide (PubChem CID 155480280) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-buta-1,3-dien-2-yl-N'-(2-ethylbutyl)methanimidamide.

Molecular Properties

Compound NameN-buta-1,3-dien-2-yl-N'-(2-ethylbutyl)methanimidamide
PubChem CID155480280
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-buta-1,3-dien-2-yl-N'-(2-ethylbutyl)methanimidamide
SMILESC=CC(=C)N/C=N/CC(CC)CC
InChIInChI=1S/C11H20N2/c1-5-10(4)13-9-12-8-11(6-2)7-3/h5,9,11H,1,4,6-8H2,2-3H3,(H,12,13)
InChIKeyOOAFJKRYDUPHQD-UHFFFAOYSA-N
XLogP2.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-buta-1,3-dien-2-yl-N'-(2-ethylbutyl)methanimidamide?
The IUPAC name of N-buta-1,3-dien-2-yl-N'-(2-ethylbutyl)methanimidamide (CID 155480280) is N-buta-1,3-dien-2-yl-N'-(2-ethylbutyl)methanimidamide.
What is the SMILES notation for N-buta-1,3-dien-2-yl-N'-(2-ethylbutyl)methanimidamide?
The canonical SMILES for N-buta-1,3-dien-2-yl-N'-(2-ethylbutyl)methanimidamide is C=CC(=C)N/C=N/CC(CC)CC.
What is the InChIKey of N-buta-1,3-dien-2-yl-N'-(2-ethylbutyl)methanimidamide?
The InChIKey is OOAFJKRYDUPHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-10(4)13-9-12-8-11(6-2)7-3/h5,9,11H,1,4,6-8H2,2-3H3,(H,12,13).
What are the key properties of N-buta-1,3-dien-2-yl-N'-(2-ethylbutyl)methanimidamide?
N-buta-1,3-dien-2-yl-N'-(2-ethylbutyl)methanimidamide has a molecular weight of 180.29 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-1,3-dien-2-yl-N'-(2-ethylbutyl)methanimidamide is sourced from PubChem (CID 155480280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).