N-[(Z)-prop-1-enyl]-N,N'-bis(prop-2-enyl)methanimidamide

C10H16N2 — CID 118213829

IUPACN-[(Z)-prop-1-enyl]-N,N'-bis(prop-2-enyl)methanimidamide
SMILESC=CC/N=C/N(/C=C\C)CC=C
InChIInChI=1S/C10H16N2/c1-4-7-11-10-12(8-5-2)9-6-3/h4-6,9-10H,1-2,7-8H2,3H3/b9-6-,11-10+
InChIKeyCQUSVJOOHXMYPS-KBCDKWTQSA-N
MW164.25 g/mol
LogP2.22
Rot. Bonds6

About N-[(Z)-prop-1-enyl]-N,N'-bis(prop-2-enyl)methanimidamide

N-[(Z)-prop-1-enyl]-N,N'-bis(prop-2-enyl)methanimidamide (PubChem CID 118213829) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-[(Z)-prop-1-enyl]-N,N'-bis(prop-2-enyl)methanimidamide.

Molecular Properties

Compound NameN-[(Z)-prop-1-enyl]-N,N'-bis(prop-2-enyl)methanimidamide
PubChem CID118213829
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-[(Z)-prop-1-enyl]-N,N'-bis(prop-2-enyl)methanimidamide
SMILESC=CC/N=C/N(/C=C\C)CC=C
InChIInChI=1S/C10H16N2/c1-4-7-11-10-12(8-5-2)9-6-3/h4-6,9-10H,1-2,7-8H2,3H3/b9-6-,11-10+
InChIKeyCQUSVJOOHXMYPS-KBCDKWTQSA-N
XLogP2.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.22
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-[(Z)-prop-1-enyl]-N,N'-bis(prop-2-enyl)methanimidamide?
The IUPAC name of N-[(Z)-prop-1-enyl]-N,N'-bis(prop-2-enyl)methanimidamide (CID 118213829) is N-[(Z)-prop-1-enyl]-N,N'-bis(prop-2-enyl)methanimidamide.
What is the SMILES notation for N-[(Z)-prop-1-enyl]-N,N'-bis(prop-2-enyl)methanimidamide?
The canonical SMILES for N-[(Z)-prop-1-enyl]-N,N'-bis(prop-2-enyl)methanimidamide is C=CC/N=C/N(/C=C\C)CC=C.
What is the InChIKey of N-[(Z)-prop-1-enyl]-N,N'-bis(prop-2-enyl)methanimidamide?
The InChIKey is CQUSVJOOHXMYPS-KBCDKWTQSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-7-11-10-12(8-5-2)9-6-3/h4-6,9-10H,1-2,7-8H2,3H3/b9-6-,11-10+.
What are the key properties of N-[(Z)-prop-1-enyl]-N,N'-bis(prop-2-enyl)methanimidamide?
N-[(Z)-prop-1-enyl]-N,N'-bis(prop-2-enyl)methanimidamide has a molecular weight of 164.25 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-prop-1-enyl]-N,N'-bis(prop-2-enyl)methanimidamide is sourced from PubChem (CID 118213829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).