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

C10H16N2 — CID 173012476

IUPACN,N,N'-tris(prop-2-enyl)methanimidamide
SMILESC=CC/N=C/N(CC=C)CC=C
InChIInChI=1S/C10H16N2/c1-4-7-11-10-12(8-5-2)9-6-3/h4-6,10H,1-3,7-9H2/b11-10+
InChIKeyQZRGFEVQZHWUQD-ZHACJKMWSA-N
MW164.25 g/mol
LogP1.87
Rot. Bonds7

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

N,N,N'-tris(prop-2-enyl)methanimidamide (PubChem CID 173012476) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N,N,N'-tris(prop-2-enyl)methanimidamide.

Molecular Properties

Compound NameN,N,N'-tris(prop-2-enyl)methanimidamide
PubChem CID173012476
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN,N,N'-tris(prop-2-enyl)methanimidamide
SMILESC=CC/N=C/N(CC=C)CC=C
InChIInChI=1S/C10H16N2/c1-4-7-11-10-12(8-5-2)9-6-3/h4-6,10H,1-3,7-9H2/b11-10+
InChIKeyQZRGFEVQZHWUQD-ZHACJKMWSA-N
XLogP1.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.87
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)methanimidamide?
The IUPAC name of N,N,N'-tris(prop-2-enyl)methanimidamide (CID 173012476) is N,N,N'-tris(prop-2-enyl)methanimidamide.
What is the SMILES notation for N,N,N'-tris(prop-2-enyl)methanimidamide?
The canonical SMILES for N,N,N'-tris(prop-2-enyl)methanimidamide is C=CC/N=C/N(CC=C)CC=C.
What is the InChIKey of N,N,N'-tris(prop-2-enyl)methanimidamide?
The InChIKey is QZRGFEVQZHWUQD-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-7-11-10-12(8-5-2)9-6-3/h4-6,10H,1-3,7-9H2/b11-10+.
What are the key properties of N,N,N'-tris(prop-2-enyl)methanimidamide?
N,N,N'-tris(prop-2-enyl)methanimidamide has a molecular weight of 164.25 g/mol, XLogP of 1.87, 7 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)methanimidamide is sourced from PubChem (CID 173012476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).