1-ethyl-2,3-dimethyl-1-propylguanidine

C8H19N3 — CID 131223275

IUPAC1-ethyl-2,3-dimethyl-1-propylguanidine
SMILESCCCN(CC)/C(=N/C)NC
InChIInChI=1S/C8H19N3/c1-5-7-11(6-2)8(9-3)10-4/h5-7H2,1-4H3,(H,9,10)
InChIKeyHSNOLCUGZSYZTQ-UHFFFAOYSA-N
MW157.26 g/mol
LogP0.92
Rot. Bonds3

About 1-ethyl-2,3-dimethyl-1-propylguanidine

1-ethyl-2,3-dimethyl-1-propylguanidine (PubChem CID 131223275) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethyl-1-propylguanidine.

Molecular Properties

Compound Name1-ethyl-2,3-dimethyl-1-propylguanidine
PubChem CID131223275
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name1-ethyl-2,3-dimethyl-1-propylguanidine
SMILESCCCN(CC)/C(=N/C)NC
InChIInChI=1S/C8H19N3/c1-5-7-11(6-2)8(9-3)10-4/h5-7H2,1-4H3,(H,9,10)
InChIKeyHSNOLCUGZSYZTQ-UHFFFAOYSA-N
XLogP0.92
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
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

1-benzyl-1-ethyl-2,3-dimethylguanidine
CID 130785557
copper;1,1,2,3-tetramethylguanidine;hydrochloride
CID 175414333
guanidine;1,1,2,3-tetramethylguanidine
CID 155384700
1-(3,3-dimethylbutyl)-1,2,3-trimethylguanidine
CID 20755638
N-[N-ethyl-N-(3-hydroxybutyl)-N'-methylcarbamimidoyl]formamide
CID 118617506
3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-propylguanidine
CID 104883585
3-amino-1-ethyl-1-propylurea
CID 43269070
calcium;1,1,2,3-tetramethylguanidine;carbonate
CID 87562233
heptanoic acid;1,1,2,3-tetramethylguanidine
CID 87627188
3-amino-1,1,2-tripropylguanidine
CID 104883381
1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine
CID 59021791
1-ethyl-1,2-dipropylguanidine
CID 62359189

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dimethyl-1-propylguanidine?
The IUPAC name of 1-ethyl-2,3-dimethyl-1-propylguanidine (CID 131223275) is 1-ethyl-2,3-dimethyl-1-propylguanidine.
What is the SMILES notation for 1-ethyl-2,3-dimethyl-1-propylguanidine?
The canonical SMILES for 1-ethyl-2,3-dimethyl-1-propylguanidine is CCCN(CC)/C(=N/C)NC.
What is the InChIKey of 1-ethyl-2,3-dimethyl-1-propylguanidine?
The InChIKey is HSNOLCUGZSYZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-5-7-11(6-2)8(9-3)10-4/h5-7H2,1-4H3,(H,9,10).
What are the key properties of 1-ethyl-2,3-dimethyl-1-propylguanidine?
1-ethyl-2,3-dimethyl-1-propylguanidine has a molecular weight of 157.26 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dimethyl-1-propylguanidine is sourced from PubChem (CID 131223275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).