1,1-diethylguanidine

C5H13N3 — CID 14467

IUPAC1,1-diethylguanidine
SMILES[H]/N=C(\N)N(CC)CC
InChIInChI=1S/C5H13N3/c1-3-8(4-2)5(6)7/h3-4H2,1-2H3,(H3,6,7)
InChIKeyPDDWJLGBNYUCQO-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.22
Rot. Bonds2

About 1,1-diethylguanidine

1,1-diethylguanidine (PubChem CID 14467) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is 1,1-diethylguanidine.

Molecular Properties

Compound Name1,1-diethylguanidine
PubChem CID14467
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Name1,1-diethylguanidine
SMILES[H]/N=C(\N)N(CC)CC
InChIInChI=1S/C5H13N3/c1-3-8(4-2)5(6)7/h3-4H2,1-2H3,(H3,6,7)
InChIKeyPDDWJLGBNYUCQO-UHFFFAOYSA-N
XLogP0.22
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.22
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'}

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Related Compounds

Selenourea, N,N-diethyl-
CID 6328104
N-Ethyl-N-methylguanidine
CID 19456
N,N,N',N'-Tetraethylguanidine
CID 234841
1,1-Diethylguanidine hydrochloride
CID 70686
1,1-Di(propan-2-yl)guanidine
CID 9405
N,N-diethylcarbamimidoselenoic acid
CID 21193
Methyl-propylguanidine
CID 18614735
Selenoethyl-guanidine
CID 129674770
n,n-Dipropyl-guanidine
CID 9494
N,N-Diethylimidoformamide
CID 17912027
Methylpropylguanidine hydrochloride
CID 172994316
1-Ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 61605138

Frequently Asked Questions

What is the IUPAC name of 1,1-diethylguanidine?
The IUPAC name of 1,1-diethylguanidine (CID 14467) is 1,1-diethylguanidine.
What is the SMILES notation for 1,1-diethylguanidine?
The canonical SMILES for 1,1-diethylguanidine is [H]/N=C(\N)N(CC)CC.
What is the InChIKey of 1,1-diethylguanidine?
The InChIKey is PDDWJLGBNYUCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c1-3-8(4-2)5(6)7/h3-4H2,1-2H3,(H3,6,7).
What are the key properties of 1,1-diethylguanidine?
1,1-diethylguanidine has a molecular weight of 115.18 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethylguanidine is sourced from PubChem (CID 14467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).