2-amino-1-ethyl-1-(2-methylbutyl)guanidine

C8H20N4 — CID 79470408

IUPAC2-amino-1-ethyl-1-(2-methylbutyl)guanidine
SMILESCCC(C)CN(CC)C(N)=NN
InChIInChI=1S/C8H20N4/c1-4-7(3)6-12(5-2)8(9)11-10/h7H,4-6,10H2,1-3H3,(H2,9,11)
InChIKeyUYGZGHCNTMPDJN-UHFFFAOYSA-N
MW172.28 g/mol
LogP0.54
Rot. Bonds4

About 2-amino-1-ethyl-1-(2-methylbutyl)guanidine

2-amino-1-ethyl-1-(2-methylbutyl)guanidine (PubChem CID 79470408) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is 2-amino-1-ethyl-1-(2-methylbutyl)guanidine.

Molecular Properties

Compound Name2-amino-1-ethyl-1-(2-methylbutyl)guanidine
PubChem CID79470408
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name2-amino-1-ethyl-1-(2-methylbutyl)guanidine
SMILESCCC(C)CN(CC)C(N)=NN
InChIInChI=1S/C8H20N4/c1-4-7(3)6-12(5-2)8(9)11-10/h7H,4-6,10H2,1-3H3,(H2,9,11)
InChIKeyUYGZGHCNTMPDJN-UHFFFAOYSA-N
XLogP0.54
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 50.54
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

2-amino-1-butan-2-yl-1-methylguanidine
CID 77053924
1-ethyl-1-(2-ethylbutyl)-2-propan-2-ylguanidine
CID 62361905
3-amino-N-ethyl-3-hydroxyimino-2-methyl-N-(2-methylbutyl)propanamide
CID 79469921
(2R)-2-amino-N-ethyl-N-(2-methylbutyl)propanamide
CID 79469965
2-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethylguanidine
CID 103189435
3-amino-1-ethyl-1-(2-methylbutyl)-2-propylguanidine
CID 104887379
(2S)-4-amino-2-[[ethyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid
CID 79470692
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide
CID 79471014
2-amino-1-[2-(dimethylamino)ethyl]-1-propylguanidine
CID 77054054
4-[ethyl(2-methylbutyl)amino]butan-2-ol
CID 79482541
4-amino-N-ethyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
CID 79469783
1-(2-cyanopropyl)-1-ethyl-2-methylguanidine
CID 62361000

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-ethyl-1-(2-methylbutyl)guanidine?
The IUPAC name of 2-amino-1-ethyl-1-(2-methylbutyl)guanidine (CID 79470408) is 2-amino-1-ethyl-1-(2-methylbutyl)guanidine.
What is the SMILES notation for 2-amino-1-ethyl-1-(2-methylbutyl)guanidine?
The canonical SMILES for 2-amino-1-ethyl-1-(2-methylbutyl)guanidine is CCC(C)CN(CC)C(N)=NN.
What is the InChIKey of 2-amino-1-ethyl-1-(2-methylbutyl)guanidine?
The InChIKey is UYGZGHCNTMPDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4/c1-4-7(3)6-12(5-2)8(9)11-10/h7H,4-6,10H2,1-3H3,(H2,9,11).
What are the key properties of 2-amino-1-ethyl-1-(2-methylbutyl)guanidine?
2-amino-1-ethyl-1-(2-methylbutyl)guanidine has a molecular weight of 172.28 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-ethyl-1-(2-methylbutyl)guanidine is sourced from PubChem (CID 79470408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).