N'-ethyl-N-penta-1,2-dien-3-ylmethanimidamide

C8H14N2 — CID 129058107

IUPACN'-ethyl-N-penta-1,2-dien-3-ylmethanimidamide
SMILESC=C=C(CC)N/C=N/CC
InChIInChI=1S/C8H14N2/c1-4-8(5-2)10-7-9-6-3/h7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyDYWKSYLNMUCXDG-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.70
Rot. Bonds4

About N'-ethyl-N-penta-1,2-dien-3-ylmethanimidamide

N'-ethyl-N-penta-1,2-dien-3-ylmethanimidamide (PubChem CID 129058107) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-ethyl-N-penta-1,2-dien-3-ylmethanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-penta-1,2-dien-3-ylmethanimidamide
PubChem CID129058107
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-ethyl-N-penta-1,2-dien-3-ylmethanimidamide
SMILESC=C=C(CC)N/C=N/CC
InChIInChI=1S/C8H14N2/c1-4-8(5-2)10-7-9-6-3/h7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyDYWKSYLNMUCXDG-UHFFFAOYSA-N
XLogP1.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.70
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-penta-1,2-dien-3-ylmethanimidamide?
The IUPAC name of N'-ethyl-N-penta-1,2-dien-3-ylmethanimidamide (CID 129058107) is N'-ethyl-N-penta-1,2-dien-3-ylmethanimidamide.
What is the SMILES notation for N'-ethyl-N-penta-1,2-dien-3-ylmethanimidamide?
The canonical SMILES for N'-ethyl-N-penta-1,2-dien-3-ylmethanimidamide is C=C=C(CC)N/C=N/CC.
What is the InChIKey of N'-ethyl-N-penta-1,2-dien-3-ylmethanimidamide?
The InChIKey is DYWKSYLNMUCXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-8(5-2)10-7-9-6-3/h7H,1,5-6H2,2-3H3,(H,9,10).
What are the key properties of N'-ethyl-N-penta-1,2-dien-3-ylmethanimidamide?
N'-ethyl-N-penta-1,2-dien-3-ylmethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-penta-1,2-dien-3-ylmethanimidamide is sourced from PubChem (CID 129058107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).