3-amino-1-ethyl-2-methyl-1-(2-methylpropyl)guanidine

C8H20N4 — CID 104881973

IUPAC3-amino-1-ethyl-2-methyl-1-(2-methylpropyl)guanidine
SMILESCCN(CC(C)C)/C(=N/C)NN
InChIInChI=1S/C8H20N4/c1-5-12(6-7(2)3)8(10-4)11-9/h7H,5-6,9H2,1-4H3,(H,10,11)
InChIKeyDVESWUCGXIRONK-UHFFFAOYSA-N
MW172.28 g/mol
LogP0.41
Rot. Bonds3

About 3-amino-1-ethyl-2-methyl-1-(2-methylpropyl)guanidine

3-amino-1-ethyl-2-methyl-1-(2-methylpropyl)guanidine (PubChem CID 104881973) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is 3-amino-1-ethyl-2-methyl-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name3-amino-1-ethyl-2-methyl-1-(2-methylpropyl)guanidine
PubChem CID104881973
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name3-amino-1-ethyl-2-methyl-1-(2-methylpropyl)guanidine
SMILESCCN(CC(C)C)/C(=N/C)NN
InChIInChI=1S/C8H20N4/c1-5-12(6-7(2)3)8(10-4)11-9/h7H,5-6,9H2,1-4H3,(H,10,11)
InChIKeyDVESWUCGXIRONK-UHFFFAOYSA-N
XLogP0.41
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 50.41
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-methyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884163
3-Amino-2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884429
3-Amino-1-ethyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884439
3-Amino-2-butyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884475
3-Amino-2-ethyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884477
3-Amino-1,2-dipropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884478
3-Amino-2-(2-methylpropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884482
3-Amino-1-methyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)guanidine
CID 104887043
3-Amino-1-(2,2-difluoroethyl)-1-methyl-2-(2-methylpropyl)guanidine
CID 104888982
1-Amino-3-(diaminomethylidene)-1-(2-methylpropyl)guanidine;ethane
CID 144561806
N,N-Bis(2-methylpropyl)hydrazinecarboximidamide
CID 64868168
2-Amino-1,1-bis(2-methylpropyl)guanidine
CID 77053901

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-2-methyl-1-(2-methylpropyl)guanidine?
The IUPAC name of 3-amino-1-ethyl-2-methyl-1-(2-methylpropyl)guanidine (CID 104881973) is 3-amino-1-ethyl-2-methyl-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 3-amino-1-ethyl-2-methyl-1-(2-methylpropyl)guanidine?
The canonical SMILES for 3-amino-1-ethyl-2-methyl-1-(2-methylpropyl)guanidine is CCN(CC(C)C)/C(=N/C)NN.
What is the InChIKey of 3-amino-1-ethyl-2-methyl-1-(2-methylpropyl)guanidine?
The InChIKey is DVESWUCGXIRONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4/c1-5-12(6-7(2)3)8(10-4)11-9/h7H,5-6,9H2,1-4H3,(H,10,11).
What are the key properties of 3-amino-1-ethyl-2-methyl-1-(2-methylpropyl)guanidine?
3-amino-1-ethyl-2-methyl-1-(2-methylpropyl)guanidine has a molecular weight of 172.28 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-2-methyl-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 104881973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).