2-ethyl-1-(3-methylpentan-2-yl)guanidine

C9H21N3 — CID 62364438

IUPAC2-ethyl-1-(3-methylpentan-2-yl)guanidine
SMILESCC/N=C(\N)NC(C)C(C)CC
InChIInChI=1S/C9H21N3/c1-5-7(3)8(4)12-9(10)11-6-2/h7-8H,5-6H2,1-4H3,(H3,10,11,12)
InChIKeyOLNFKTJOIRFYHS-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.35
Rot. Bonds4

About 2-ethyl-1-(3-methylpentan-2-yl)guanidine

2-ethyl-1-(3-methylpentan-2-yl)guanidine (PubChem CID 62364438) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 2-ethyl-1-(3-methylpentan-2-yl)guanidine.

Molecular Properties

Compound Name2-ethyl-1-(3-methylpentan-2-yl)guanidine
PubChem CID62364438
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name2-ethyl-1-(3-methylpentan-2-yl)guanidine
SMILESCC/N=C(\N)NC(C)C(C)CC
InChIInChI=1S/C9H21N3/c1-5-7(3)8(4)12-9(10)11-6-2/h7-8H,5-6H2,1-4H3,(H3,10,11,12)
InChIKeyOLNFKTJOIRFYHS-UHFFFAOYSA-N
XLogP1.35
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.35
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

2-ethyl-1-(1-hydroxy-4-methylpentan-3-yl)guanidine
CID 106350427
N-[(2R)-3-methylpentan-2-yl]propanamide
CID 145216410
2-ethyl-1-[1-(4-methylphenoxy)propan-2-yl]guanidine
CID 55064194
1-[(2R)-3-methylbutan-2-yl]-2-(3-methylbutyl)guanidine
CID 122697562
1-(3-methylpentan-2-yl)-3-propan-2-ylurea
CID 115591147
2-ethyl-1-(methylamino)guanidine
CID 12523003
2-methoxy-N-(3-methylpentan-2-yl)propanamide
CID 115591162
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylguanidine
CID 62361367
4-amino-N-(3-methylpentan-2-yl)butanamide
CID 61464020
1-(4-butan-2-ylphenyl)-2-ethylguanidine
CID 111023947
2-ethyl-1-(2-propan-2-ylcyclohexyl)guanidine
CID 78965826
1-[amino-[(N'-ethylcarbamimidoyl)amino]oxyphosphoryl]oxy-2-ethylguanidine
CID 87358909

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-methylpentan-2-yl)guanidine?
The IUPAC name of 2-ethyl-1-(3-methylpentan-2-yl)guanidine (CID 62364438) is 2-ethyl-1-(3-methylpentan-2-yl)guanidine.
What is the SMILES notation for 2-ethyl-1-(3-methylpentan-2-yl)guanidine?
The canonical SMILES for 2-ethyl-1-(3-methylpentan-2-yl)guanidine is CC/N=C(\N)NC(C)C(C)CC.
What is the InChIKey of 2-ethyl-1-(3-methylpentan-2-yl)guanidine?
The InChIKey is OLNFKTJOIRFYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-5-7(3)8(4)12-9(10)11-6-2/h7-8H,5-6H2,1-4H3,(H3,10,11,12).
What are the key properties of 2-ethyl-1-(3-methylpentan-2-yl)guanidine?
2-ethyl-1-(3-methylpentan-2-yl)guanidine has a molecular weight of 171.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-methylpentan-2-yl)guanidine is sourced from PubChem (CID 62364438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).