N,N-dimethylmethanamine;1-ethyl-1,3,3-trimethylurea;bis(1,2,3-trimethylguanidine)

C17H45N9O — CID 54023673

IUPACN,N-dimethylmethanamine;1-ethyl-1,3,3-trimethylurea;bis(1,2,3-trimethylguanidine)
SMILESCCN(C)C(=O)N(C)C.CN(C)C.CN=C(NC)NC.CN=C(NC)NC
InChIInChI=1S/C6H14N2O.2C4H11N3.C3H9N/c1-5-8(4)6(9)7(2)3;2*1-5-4(6-2)7-3;1-4(2)3/h5H2,1-4H3;2*1-3H3,(H2,5,6,7);1-3H3
InChIKeyLAQZKKZCPJVCFX-UHFFFAOYSA-N
MW391.61 g/mol
LogP-0.38
Rot. Bonds1

About N,N-dimethylmethanamine;1-ethyl-1,3,3-trimethylurea;bis(1,2,3-trimethylguanidine)

N,N-dimethylmethanamine;1-ethyl-1,3,3-trimethylurea;bis(1,2,3-trimethylguanidine) (PubChem CID 54023673) has the molecular formula C17H45N9O and a molecular weight of 391.61 g/mol. Its IUPAC name is N,N-dimethylmethanamine;1-ethyl-1,3,3-trimethylurea;bis(1,2,3-trimethylguanidine).

Molecular Properties

Compound NameN,N-dimethylmethanamine;1-ethyl-1,3,3-trimethylurea;bis(1,2,3-trimethylguanidine)
PubChem CID54023673
Molecular FormulaC17H45N9O
Molecular Weight391.61 g/mol
Exact Mass391.37
IUPAC NameN,N-dimethylmethanamine;1-ethyl-1,3,3-trimethylurea;bis(1,2,3-trimethylguanidine)
SMILESCCN(C)C(=O)N(C)C.CN(C)C.CN=C(NC)NC.CN=C(NC)NC
InChIInChI=1S/C6H14N2O.2C4H11N3.C3H9N/c1-5-8(4)6(9)7(2)3;2*1-5-4(6-2)7-3;1-4(2)3/h5H2,1-4H3;2*1-3H3,(H2,5,6,7);1-3H3
InChIKeyLAQZKKZCPJVCFX-UHFFFAOYSA-N
XLogP-0.38
TPSA99.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.61
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-dimethylmethanamine;1-ethyl-1,3,3-trimethylurea;bis(1,2,3-trimethylguanidine)?
The IUPAC name of N,N-dimethylmethanamine;1-ethyl-1,3,3-trimethylurea;bis(1,2,3-trimethylguanidine) (CID 54023673) is N,N-dimethylmethanamine;1-ethyl-1,3,3-trimethylurea;bis(1,2,3-trimethylguanidine).
What is the SMILES notation for N,N-dimethylmethanamine;1-ethyl-1,3,3-trimethylurea;bis(1,2,3-trimethylguanidine)?
The canonical SMILES for N,N-dimethylmethanamine;1-ethyl-1,3,3-trimethylurea;bis(1,2,3-trimethylguanidine) is CCN(C)C(=O)N(C)C.CN(C)C.CN=C(NC)NC.CN=C(NC)NC.
What is the InChIKey of N,N-dimethylmethanamine;1-ethyl-1,3,3-trimethylurea;bis(1,2,3-trimethylguanidine)?
The InChIKey is LAQZKKZCPJVCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.2C4H11N3.C3H9N/c1-5-8(4)6(9)7(2)3;2*1-5-4(6-2)7-3;1-4(2)3/h5H2,1-4H3;2*1-3H3,(H2,5,6,7);1-3H3.
What are the key properties of N,N-dimethylmethanamine;1-ethyl-1,3,3-trimethylurea;bis(1,2,3-trimethylguanidine)?
N,N-dimethylmethanamine;1-ethyl-1,3,3-trimethylurea;bis(1,2,3-trimethylguanidine) has a molecular weight of 391.61 g/mol, XLogP of -0.38, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;1-ethyl-1,3,3-trimethylurea;bis(1,2,3-trimethylguanidine) is sourced from PubChem (CID 54023673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).