N,N-bis(prop-2-enyl)ethanimidamide

C8H14N2 — CID 57044771

IUPACN,N-bis(prop-2-enyl)ethanimidamide
SMILES[H]/N=C(\C)N(CC=C)CC=C
InChIInChI=1S/C8H14N2/c1-4-6-10(7-5-2)8(3)9/h4-5,9H,1-2,6-7H2,3H3/b9-8+
InChIKeyREGFFJMMYWIUID-CMDGGOBGSA-N
MW138.21 g/mol
LogP1.66
Rot. Bonds4

About N,N-bis(prop-2-enyl)ethanimidamide

N,N-bis(prop-2-enyl)ethanimidamide (PubChem CID 57044771) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)ethanimidamide.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)ethanimidamide
PubChem CID57044771
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN,N-bis(prop-2-enyl)ethanimidamide
SMILES[H]/N=C(\C)N(CC=C)CC=C
InChIInChI=1S/C8H14N2/c1-4-6-10(7-5-2)8(3)9/h4-5,9H,1-2,6-7H2,3H3/b9-8+
InChIKeyREGFFJMMYWIUID-CMDGGOBGSA-N
XLogP1.66
TPSA27.09 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 ≤ 51.66
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)ethanimidamide?
The IUPAC name of N,N-bis(prop-2-enyl)ethanimidamide (CID 57044771) is N,N-bis(prop-2-enyl)ethanimidamide.
What is the SMILES notation for N,N-bis(prop-2-enyl)ethanimidamide?
The canonical SMILES for N,N-bis(prop-2-enyl)ethanimidamide is [H]/N=C(\C)N(CC=C)CC=C.
What is the InChIKey of N,N-bis(prop-2-enyl)ethanimidamide?
The InChIKey is REGFFJMMYWIUID-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-6-10(7-5-2)8(3)9/h4-5,9H,1-2,6-7H2,3H3/b9-8+.
What are the key properties of N,N-bis(prop-2-enyl)ethanimidamide?
N,N-bis(prop-2-enyl)ethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)ethanimidamide is sourced from PubChem (CID 57044771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).