1,2-dimethyl-1-[(E)-propylideneamino]guanidine

C6H14N4 — CID 18740789

IUPAC1,2-dimethyl-1-[(E)-propylideneamino]guanidine
SMILESCC/C=N/N(C)/C(N)=N/C
InChIInChI=1S/C6H14N4/c1-4-5-9-10(3)6(7)8-2/h5H,4H2,1-3H3,(H2,7,8)/b9-5+
InChIKeyCHXVXCKDGFBBSM-WEVVVXLNSA-N
MW142.21 g/mol
LogP0.26
Rot. Bonds2

About 1,2-dimethyl-1-[(E)-propylideneamino]guanidine

1,2-dimethyl-1-[(E)-propylideneamino]guanidine (PubChem CID 18740789) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is 1,2-dimethyl-1-[(E)-propylideneamino]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-1-[(E)-propylideneamino]guanidine
PubChem CID18740789
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Name1,2-dimethyl-1-[(E)-propylideneamino]guanidine
SMILESCC/C=N/N(C)/C(N)=N/C
InChIInChI=1S/C6H14N4/c1-4-5-9-10(3)6(7)8-2/h5H,4H2,1-3H3,(H2,7,8)/b9-5+
InChIKeyCHXVXCKDGFBBSM-WEVVVXLNSA-N
XLogP0.26
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-[(E)-propylideneamino]guanidine?
The IUPAC name of 1,2-dimethyl-1-[(E)-propylideneamino]guanidine (CID 18740789) is 1,2-dimethyl-1-[(E)-propylideneamino]guanidine.
What is the SMILES notation for 1,2-dimethyl-1-[(E)-propylideneamino]guanidine?
The canonical SMILES for 1,2-dimethyl-1-[(E)-propylideneamino]guanidine is CC/C=N/N(C)/C(N)=N/C.
What is the InChIKey of 1,2-dimethyl-1-[(E)-propylideneamino]guanidine?
The InChIKey is CHXVXCKDGFBBSM-WEVVVXLNSA-N. The full InChI is InChI=1S/C6H14N4/c1-4-5-9-10(3)6(7)8-2/h5H,4H2,1-3H3,(H2,7,8)/b9-5+.
What are the key properties of 1,2-dimethyl-1-[(E)-propylideneamino]guanidine?
1,2-dimethyl-1-[(E)-propylideneamino]guanidine has a molecular weight of 142.21 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-[(E)-propylideneamino]guanidine is sourced from PubChem (CID 18740789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).