N'-ethenyl-3-propylcyclohexa-2,4-diene-1-carboximidamide;molecular hydrogen

C12H20N2 — CID 143457481

IUPACN'-ethenyl-3-propylcyclohexa-2,4-diene-1-carboximidamide;molecular hydrogen
SMILESC=C/N=C(\N)C1C=C(CCC)C=CC1.[H][H]
InChIInChI=1S/C12H18N2.H2/c1-3-6-10-7-5-8-11(9-10)12(13)14-4-2;/h4-5,7,9,11H,2-3,6,8H2,1H3,(H2,13,14);1H
InChIKeyDMNGXBPQVUWKFP-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.04
Rot. Bonds4

About N'-ethenyl-3-propylcyclohexa-2,4-diene-1-carboximidamide;molecular hydrogen

N'-ethenyl-3-propylcyclohexa-2,4-diene-1-carboximidamide;molecular hydrogen (PubChem CID 143457481) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N'-ethenyl-3-propylcyclohexa-2,4-diene-1-carboximidamide;molecular hydrogen.

Molecular Properties

Compound NameN'-ethenyl-3-propylcyclohexa-2,4-diene-1-carboximidamide;molecular hydrogen
PubChem CID143457481
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN'-ethenyl-3-propylcyclohexa-2,4-diene-1-carboximidamide;molecular hydrogen
SMILESC=C/N=C(\N)C1C=C(CCC)C=CC1.[H][H]
InChIInChI=1S/C12H18N2.H2/c1-3-6-10-7-5-8-11(9-10)12(13)14-4-2;/h4-5,7,9,11H,2-3,6,8H2,1H3,(H2,13,14);1H
InChIKeyDMNGXBPQVUWKFP-UHFFFAOYSA-N
XLogP3.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.04
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'-ethenyl-3-propylcyclohexa-2,4-diene-1-carboximidamide;molecular hydrogen?
The IUPAC name of N'-ethenyl-3-propylcyclohexa-2,4-diene-1-carboximidamide;molecular hydrogen (CID 143457481) is N'-ethenyl-3-propylcyclohexa-2,4-diene-1-carboximidamide;molecular hydrogen.
What is the SMILES notation for N'-ethenyl-3-propylcyclohexa-2,4-diene-1-carboximidamide;molecular hydrogen?
The canonical SMILES for N'-ethenyl-3-propylcyclohexa-2,4-diene-1-carboximidamide;molecular hydrogen is C=C/N=C(\N)C1C=C(CCC)C=CC1.[H][H].
What is the InChIKey of N'-ethenyl-3-propylcyclohexa-2,4-diene-1-carboximidamide;molecular hydrogen?
The InChIKey is DMNGXBPQVUWKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.H2/c1-3-6-10-7-5-8-11(9-10)12(13)14-4-2;/h4-5,7,9,11H,2-3,6,8H2,1H3,(H2,13,14);1H.
What are the key properties of N'-ethenyl-3-propylcyclohexa-2,4-diene-1-carboximidamide;molecular hydrogen?
N'-ethenyl-3-propylcyclohexa-2,4-diene-1-carboximidamide;molecular hydrogen has a molecular weight of 192.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-3-propylcyclohexa-2,4-diene-1-carboximidamide;molecular hydrogen is sourced from PubChem (CID 143457481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).