N,N,N'-tris(prop-2-enyl)ethanimidamide

C11H18N2 — CID 87332958

IUPACN,N,N'-tris(prop-2-enyl)ethanimidamide
SMILESC=CC/N=C(\C)N(CC=C)CC=C
InChIInChI=1S/C11H18N2/c1-5-8-12-11(4)13(9-6-2)10-7-3/h5-7H,1-3,8-10H2,4H3/b12-11+
InChIKeyLPHGDDKUUNKZLL-VAWYXSNFSA-N
MW178.28 g/mol
LogP2.26
Rot. Bonds6

About N,N,N'-tris(prop-2-enyl)ethanimidamide

N,N,N'-tris(prop-2-enyl)ethanimidamide (PubChem CID 87332958) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N,N,N'-tris(prop-2-enyl)ethanimidamide.

Molecular Properties

Compound NameN,N,N'-tris(prop-2-enyl)ethanimidamide
PubChem CID87332958
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN,N,N'-tris(prop-2-enyl)ethanimidamide
SMILESC=CC/N=C(\C)N(CC=C)CC=C
InChIInChI=1S/C11H18N2/c1-5-8-12-11(4)13(9-6-2)10-7-3/h5-7H,1-3,8-10H2,4H3/b12-11+
InChIKeyLPHGDDKUUNKZLL-VAWYXSNFSA-N
XLogP2.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
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,N'-tris(prop-2-enyl)ethanimidamide?
The IUPAC name of N,N,N'-tris(prop-2-enyl)ethanimidamide (CID 87332958) is N,N,N'-tris(prop-2-enyl)ethanimidamide.
What is the SMILES notation for N,N,N'-tris(prop-2-enyl)ethanimidamide?
The canonical SMILES for N,N,N'-tris(prop-2-enyl)ethanimidamide is C=CC/N=C(\C)N(CC=C)CC=C.
What is the InChIKey of N,N,N'-tris(prop-2-enyl)ethanimidamide?
The InChIKey is LPHGDDKUUNKZLL-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-8-12-11(4)13(9-6-2)10-7-3/h5-7H,1-3,8-10H2,4H3/b12-11+.
What are the key properties of N,N,N'-tris(prop-2-enyl)ethanimidamide?
N,N,N'-tris(prop-2-enyl)ethanimidamide has a molecular weight of 178.28 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-tris(prop-2-enyl)ethanimidamide is sourced from PubChem (CID 87332958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).