3-(diaminomethylidene)-1,2-dimethyl-1-prop-2-enylguanidine

C7H15N5 — CID 22915573

IUPAC3-(diaminomethylidene)-1,2-dimethyl-1-prop-2-enylguanidine
SMILESC=CCN(C)/C(N=C(N)N)=N\C
InChIInChI=1S/C7H15N5/c1-4-5-12(3)7(10-2)11-6(8)9/h4H,1,5H2,2-3H3,(H4,8,9,10,11)
InChIKeyQJMWSOKCDKGMLD-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.64
Rot. Bonds2

About 3-(diaminomethylidene)-1,2-dimethyl-1-prop-2-enylguanidine

3-(diaminomethylidene)-1,2-dimethyl-1-prop-2-enylguanidine (PubChem CID 22915573) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1,2-dimethyl-1-prop-2-enylguanidine.

Molecular Properties

Compound Name3-(diaminomethylidene)-1,2-dimethyl-1-prop-2-enylguanidine
PubChem CID22915573
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC Name3-(diaminomethylidene)-1,2-dimethyl-1-prop-2-enylguanidine
SMILESC=CCN(C)/C(N=C(N)N)=N\C
InChIInChI=1S/C7H15N5/c1-4-5-12(3)7(10-2)11-6(8)9/h4H,1,5H2,2-3H3,(H4,8,9,10,11)
InChIKeyQJMWSOKCDKGMLD-UHFFFAOYSA-N
XLogP-0.64
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
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 3-(diaminomethylidene)-1,2-dimethyl-1-prop-2-enylguanidine?
The IUPAC name of 3-(diaminomethylidene)-1,2-dimethyl-1-prop-2-enylguanidine (CID 22915573) is 3-(diaminomethylidene)-1,2-dimethyl-1-prop-2-enylguanidine.
What is the SMILES notation for 3-(diaminomethylidene)-1,2-dimethyl-1-prop-2-enylguanidine?
The canonical SMILES for 3-(diaminomethylidene)-1,2-dimethyl-1-prop-2-enylguanidine is C=CCN(C)/C(N=C(N)N)=N\C.
What is the InChIKey of 3-(diaminomethylidene)-1,2-dimethyl-1-prop-2-enylguanidine?
The InChIKey is QJMWSOKCDKGMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-4-5-12(3)7(10-2)11-6(8)9/h4H,1,5H2,2-3H3,(H4,8,9,10,11).
What are the key properties of 3-(diaminomethylidene)-1,2-dimethyl-1-prop-2-enylguanidine?
3-(diaminomethylidene)-1,2-dimethyl-1-prop-2-enylguanidine has a molecular weight of 169.23 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-1,2-dimethyl-1-prop-2-enylguanidine is sourced from PubChem (CID 22915573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).