N,N-diethylethanamine;guanidine

C7H20N4 — CID 87517912

IUPACN,N-diethylethanamine;guanidine
SMILESCCN(CC)CC.[H]N=C(N)N
InChIInChI=1S/C6H15N.CH5N3/c1-4-7(5-2)6-3;2-1(3)4/h4-6H2,1-3H3;(H5,2,3,4)
InChIKeyFKGWCQARISEDNU-UHFFFAOYSA-N
MW160.27 g/mol
LogP0.19
Rot. Bonds3

About N,N-diethylethanamine;guanidine

N,N-diethylethanamine;guanidine (PubChem CID 87517912) has the molecular formula C7H20N4 and a molecular weight of 160.27 g/mol. Its IUPAC name is N,N-diethylethanamine;guanidine.

Molecular Properties

Compound NameN,N-diethylethanamine;guanidine
PubChem CID87517912
Molecular FormulaC7H20N4
Molecular Weight160.27 g/mol
Exact Mass160.17
IUPAC NameN,N-diethylethanamine;guanidine
SMILESCCN(CC)CC.[H]N=C(N)N
InChIInChI=1S/C6H15N.CH5N3/c1-4-7(5-2)6-3;2-1(3)4/h4-6H2,1-3H3;(H5,2,3,4)
InChIKeyFKGWCQARISEDNU-UHFFFAOYSA-N
XLogP0.19
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.27
LogP ≤ 50.19
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-diethylethanamine;guanidine?
The IUPAC name of N,N-diethylethanamine;guanidine (CID 87517912) is N,N-diethylethanamine;guanidine.
What is the SMILES notation for N,N-diethylethanamine;guanidine?
The canonical SMILES for N,N-diethylethanamine;guanidine is CCN(CC)CC.[H]N=C(N)N.
What is the InChIKey of N,N-diethylethanamine;guanidine?
The InChIKey is FKGWCQARISEDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.CH5N3/c1-4-7(5-2)6-3;2-1(3)4/h4-6H2,1-3H3;(H5,2,3,4).
What are the key properties of N,N-diethylethanamine;guanidine?
N,N-diethylethanamine;guanidine has a molecular weight of 160.27 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;guanidine is sourced from PubChem (CID 87517912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).