1-ethyl-1,2-dipropylguanidine

C9H21N3 — CID 62359189

IUPAC1-ethyl-1,2-dipropylguanidine
SMILESCCC/N=C(\N)N(CC)CCC
InChIInChI=1S/C9H21N3/c1-4-7-11-9(10)12(6-3)8-5-2/h4-8H2,1-3H3,(H2,10,11)
InChIKeyRJWUYZSZQSBDMN-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.44
Rot. Bonds5

About 1-ethyl-1,2-dipropylguanidine

1-ethyl-1,2-dipropylguanidine (PubChem CID 62359189) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 1-ethyl-1,2-dipropylguanidine.

Molecular Properties

Compound Name1-ethyl-1,2-dipropylguanidine
PubChem CID62359189
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name1-ethyl-1,2-dipropylguanidine
SMILESCCC/N=C(\N)N(CC)CCC
InChIInChI=1S/C9H21N3/c1-4-7-11-9(10)12(6-3)8-5-2/h4-8H2,1-3H3,(H2,10,11)
InChIKeyRJWUYZSZQSBDMN-UHFFFAOYSA-N
XLogP1.44
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.44
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-butyl-1-ethyl-2-propylguanidine
CID 62360301
1-ethyl-1-(2-methoxyethyl)-2-propylguanidine
CID 62364781
1-(2-cyanoethyl)-1-ethyl-2-propylguanidine
CID 62364332
2-[2-(diethylamino)ethyl]-1,1-diethylguanidine
CID 111022676
1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-propylguanidine
CID 62363683
3-amino-1,1,2-tripropylguanidine
CID 104883381
2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride
CID 176546682
2-[2-[ethyl(propyl)amino]ethyl]guanidine
CID 103718965
3-amino-1-butyl-1-ethyl-2-propylguanidine
CID 104883414
1-butan-2-yl-1-methyl-2-propylguanidine
CID 62359367
2-amino-1-[2-(dimethylamino)ethyl]-1-propylguanidine
CID 77054054
1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine
CID 103189428

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,2-dipropylguanidine?
The IUPAC name of 1-ethyl-1,2-dipropylguanidine (CID 62359189) is 1-ethyl-1,2-dipropylguanidine.
What is the SMILES notation for 1-ethyl-1,2-dipropylguanidine?
The canonical SMILES for 1-ethyl-1,2-dipropylguanidine is CCC/N=C(\N)N(CC)CCC.
What is the InChIKey of 1-ethyl-1,2-dipropylguanidine?
The InChIKey is RJWUYZSZQSBDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-4-7-11-9(10)12(6-3)8-5-2/h4-8H2,1-3H3,(H2,10,11).
What are the key properties of 1-ethyl-1,2-dipropylguanidine?
1-ethyl-1,2-dipropylguanidine has a molecular weight of 171.29 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,2-dipropylguanidine is sourced from PubChem (CID 62359189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).