1-amino-3-tert-butyl-2-propylguanidine

C8H20N4 — CID 104882795

IUPAC1-amino-3-tert-butyl-2-propylguanidine
SMILESCCC/N=C(\NN)NC(C)(C)C
InChIInChI=1S/C8H20N4/c1-5-6-10-7(12-9)11-8(2,3)4/h5-6,9H2,1-4H3,(H2,10,11,12)
InChIKeyQBVNNXXEHZKXMF-UHFFFAOYSA-N
MW172.28 g/mol
LogP0.60
Rot. Bonds2

About 1-amino-3-tert-butyl-2-propylguanidine

1-amino-3-tert-butyl-2-propylguanidine (PubChem CID 104882795) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is 1-amino-3-tert-butyl-2-propylguanidine.

Molecular Properties

Compound Name1-amino-3-tert-butyl-2-propylguanidine
PubChem CID104882795
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name1-amino-3-tert-butyl-2-propylguanidine
SMILESCCC/N=C(\NN)NC(C)(C)C
InChIInChI=1S/C8H20N4/c1-5-6-10-7(12-9)11-8(2,3)4/h5-6,9H2,1-4H3,(H2,10,11,12)
InChIKeyQBVNNXXEHZKXMF-UHFFFAOYSA-N
XLogP0.60
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 50.60
H-Bond Donors ≤ 53
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-[(N-amino-N'-propylcarbamimidoyl)amino]-2-methylpropanamide
CID 104885506
1-amino-3-(1-methoxy-2-methylpropan-2-yl)-2-propylguanidine
CID 104888568
1-amino-3-tert-butyl-2-(cyclopropylmethyl)guanidine;hydroiodide
CID 2730518
N-tert-butyl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide
CID 104888339
1-amino-3-(2-fluoroethyl)-2-propylguanidine
CID 130505160
1-amino-3-hexyl-2-propylguanidine
CID 104886641
1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine
CID 104882857
1-amino-3-phenyl-2-propylguanidine
CID 116511382
1-amino-3-heptan-2-yl-2-propylguanidine
CID 104885589
1-amino-2-propylguanidine;hydrochloride
CID 173441996
1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine
CID 104888851
1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine
CID 104883881

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-tert-butyl-2-propylguanidine?
The IUPAC name of 1-amino-3-tert-butyl-2-propylguanidine (CID 104882795) is 1-amino-3-tert-butyl-2-propylguanidine.
What is the SMILES notation for 1-amino-3-tert-butyl-2-propylguanidine?
The canonical SMILES for 1-amino-3-tert-butyl-2-propylguanidine is CCC/N=C(\NN)NC(C)(C)C.
What is the InChIKey of 1-amino-3-tert-butyl-2-propylguanidine?
The InChIKey is QBVNNXXEHZKXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4/c1-5-6-10-7(12-9)11-8(2,3)4/h5-6,9H2,1-4H3,(H2,10,11,12).
What are the key properties of 1-amino-3-tert-butyl-2-propylguanidine?
1-amino-3-tert-butyl-2-propylguanidine has a molecular weight of 172.28 g/mol, XLogP of 0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-tert-butyl-2-propylguanidine is sourced from PubChem (CID 104882795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).