N,N-dimethylethenamine;guanidine

C5H14N4 — CID 87544412

IUPACN,N-dimethylethenamine;guanidine
SMILESC=CN(C)C.[H]N=C(N)N
InChIInChI=1S/C4H9N.CH5N3/c1-4-5(2)3;2-1(3)4/h4H,1H2,2-3H3;(H5,2,3,4)
InChIKeyCQDNFLJIRUTLBD-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.47
Rot. Bonds1

About N,N-dimethylethenamine;guanidine

N,N-dimethylethenamine;guanidine (PubChem CID 87544412) has the molecular formula C5H14N4 and a molecular weight of 130.19 g/mol. Its IUPAC name is N,N-dimethylethenamine;guanidine.

Molecular Properties

Compound NameN,N-dimethylethenamine;guanidine
PubChem CID87544412
Molecular FormulaC5H14N4
Molecular Weight130.19 g/mol
Exact Mass130.12
IUPAC NameN,N-dimethylethenamine;guanidine
SMILESC=CN(C)C.[H]N=C(N)N
InChIInChI=1S/C4H9N.CH5N3/c1-4-5(2)3;2-1(3)4/h4H,1H2,2-3H3;(H5,2,3,4)
InChIKeyCQDNFLJIRUTLBD-UHFFFAOYSA-N
XLogP-0.47
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.47
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 N,N-dimethylethenamine;guanidine?
The IUPAC name of N,N-dimethylethenamine;guanidine (CID 87544412) is N,N-dimethylethenamine;guanidine.
What is the SMILES notation for N,N-dimethylethenamine;guanidine?
The canonical SMILES for N,N-dimethylethenamine;guanidine is C=CN(C)C.[H]N=C(N)N.
What is the InChIKey of N,N-dimethylethenamine;guanidine?
The InChIKey is CQDNFLJIRUTLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.CH5N3/c1-4-5(2)3;2-1(3)4/h4H,1H2,2-3H3;(H5,2,3,4).
What are the key properties of N,N-dimethylethenamine;guanidine?
N,N-dimethylethenamine;guanidine has a molecular weight of 130.19 g/mol, XLogP of -0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethenamine;guanidine is sourced from PubChem (CID 87544412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).