2-(aminomethyl)-1-[(Z)-prop-1-enyl]guanidine;propane

C8H20N4 — CID 142552094

IUPAC2-(aminomethyl)-1-[(Z)-prop-1-enyl]guanidine;propane
SMILESC/C=C\N/C(N)=N\CN.CCC
InChIInChI=1S/C5H12N4.C3H8/c1-2-3-8-5(7)9-4-6;1-3-2/h2-3H,4,6H2,1H3,(H3,7,8,9);3H2,1-2H3/b3-2-;
InChIKeyOKLITJLUMITYMP-OLGQORCHSA-N
MW172.28 g/mol
LogP0.76
Rot. Bonds2

About 2-(aminomethyl)-1-[(Z)-prop-1-enyl]guanidine;propane

2-(aminomethyl)-1-[(Z)-prop-1-enyl]guanidine;propane (PubChem CID 142552094) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is 2-(aminomethyl)-1-[(Z)-prop-1-enyl]guanidine;propane.

Molecular Properties

Compound Name2-(aminomethyl)-1-[(Z)-prop-1-enyl]guanidine;propane
PubChem CID142552094
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name2-(aminomethyl)-1-[(Z)-prop-1-enyl]guanidine;propane
SMILESC/C=C\N/C(N)=N\CN.CCC
InChIInChI=1S/C5H12N4.C3H8/c1-2-3-8-5(7)9-4-6;1-3-2/h2-3H,4,6H2,1H3,(H3,7,8,9);3H2,1-2H3/b3-2-;
InChIKeyOKLITJLUMITYMP-OLGQORCHSA-N
XLogP0.76
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 2-(aminomethyl)-1-[(Z)-prop-1-enyl]guanidine;propane?
The IUPAC name of 2-(aminomethyl)-1-[(Z)-prop-1-enyl]guanidine;propane (CID 142552094) is 2-(aminomethyl)-1-[(Z)-prop-1-enyl]guanidine;propane.
What is the SMILES notation for 2-(aminomethyl)-1-[(Z)-prop-1-enyl]guanidine;propane?
The canonical SMILES for 2-(aminomethyl)-1-[(Z)-prop-1-enyl]guanidine;propane is C/C=C\N/C(N)=N\CN.CCC.
What is the InChIKey of 2-(aminomethyl)-1-[(Z)-prop-1-enyl]guanidine;propane?
The InChIKey is OKLITJLUMITYMP-OLGQORCHSA-N. The full InChI is InChI=1S/C5H12N4.C3H8/c1-2-3-8-5(7)9-4-6;1-3-2/h2-3H,4,6H2,1H3,(H3,7,8,9);3H2,1-2H3/b3-2-;.
What are the key properties of 2-(aminomethyl)-1-[(Z)-prop-1-enyl]guanidine;propane?
2-(aminomethyl)-1-[(Z)-prop-1-enyl]guanidine;propane has a molecular weight of 172.28 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-[(Z)-prop-1-enyl]guanidine;propane is sourced from PubChem (CID 142552094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).