3-amino-1-ethyl-1-propan-2-yl-2-propylguanidine

C9H22N4 — CID 104883542

IUPAC3-amino-1-ethyl-1-propan-2-yl-2-propylguanidine
SMILESCCC/N=C(\NN)N(CC)C(C)C
InChIInChI=1S/C9H22N4/c1-5-7-11-9(12-10)13(6-2)8(3)4/h8H,5-7,10H2,1-4H3,(H,11,12)
InChIKeyYLENKUXSNBYKGE-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.95
Rot. Bonds4

About 3-amino-1-ethyl-1-propan-2-yl-2-propylguanidine

3-amino-1-ethyl-1-propan-2-yl-2-propylguanidine (PubChem CID 104883542) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-amino-1-ethyl-1-propan-2-yl-2-propylguanidine.

Molecular Properties

Compound Name3-amino-1-ethyl-1-propan-2-yl-2-propylguanidine
PubChem CID104883542
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name3-amino-1-ethyl-1-propan-2-yl-2-propylguanidine
SMILESCCC/N=C(\NN)N(CC)C(C)C
InChIInChI=1S/C9H22N4/c1-5-7-11-9(12-10)13(6-2)8(3)4/h8H,5-7,10H2,1-4H3,(H,11,12)
InChIKeyYLENKUXSNBYKGE-UHFFFAOYSA-N
XLogP0.95
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-butan-2-yl-1-ethyl-2-propylguanidine
CID 104883649
3-amino-1-ethyl-1-(2-methylpropyl)-2-propylguanidine
CID 104883496
3-amino-1-ethyl-1,2-di(propan-2-yl)guanidine
CID 104883546
3-amino-1-ethyl-1-(2-methylbutyl)-2-propylguanidine
CID 104887379
3-amino-1,1,2-tripropylguanidine
CID 104883381
3-amino-1-butyl-1-ethyl-2-propylguanidine
CID 104883414
3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine
CID 104884542
3-amino-1-[1-(dimethylamino)propan-2-yl]-1,2-diethylguanidine
CID 103192667
3-amino-1-(2,2-difluoroethyl)-1-methyl-2-propylguanidine
CID 104888977
3-amino-1-(cyclopropylmethyl)-1-ethyl-2-propylguanidine
CID 104886562
3-amino-1-(cyclopropylmethyl)-2-(3-ethoxypropyl)-1-propan-2-ylguanidine
CID 104885483
3-amino-2-butyl-1-methyl-1-pentan-3-ylguanidine
CID 104884016

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-1-propan-2-yl-2-propylguanidine?
The IUPAC name of 3-amino-1-ethyl-1-propan-2-yl-2-propylguanidine (CID 104883542) is 3-amino-1-ethyl-1-propan-2-yl-2-propylguanidine.
What is the SMILES notation for 3-amino-1-ethyl-1-propan-2-yl-2-propylguanidine?
The canonical SMILES for 3-amino-1-ethyl-1-propan-2-yl-2-propylguanidine is CCC/N=C(\NN)N(CC)C(C)C.
What is the InChIKey of 3-amino-1-ethyl-1-propan-2-yl-2-propylguanidine?
The InChIKey is YLENKUXSNBYKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c1-5-7-11-9(12-10)13(6-2)8(3)4/h8H,5-7,10H2,1-4H3,(H,11,12).
What are the key properties of 3-amino-1-ethyl-1-propan-2-yl-2-propylguanidine?
3-amino-1-ethyl-1-propan-2-yl-2-propylguanidine has a molecular weight of 186.30 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-1-propan-2-yl-2-propylguanidine is sourced from PubChem (CID 104883542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).