1-amino-1-propan-2-ylguanidine

C4H12N4 — CID 86084669

IUPAC1-amino-1-propan-2-ylguanidine
SMILES[H]/N=C(\N)N(N)C(C)C
InChIInChI=1S/C4H12N4/c1-3(2)8(7)4(5)6/h3H,7H2,1-2H3,(H3,5,6)
InChIKeyZVULFLSAMUXXGS-UHFFFAOYSA-N
MW116.17 g/mol
LogP-0.54
Rot. Bonds1

About 1-amino-1-propan-2-ylguanidine

1-amino-1-propan-2-ylguanidine (PubChem CID 86084669) has the molecular formula C4H12N4 and a molecular weight of 116.17 g/mol. Its IUPAC name is 1-amino-1-propan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-1-propan-2-ylguanidine
PubChem CID86084669
Molecular FormulaC4H12N4
Molecular Weight116.17 g/mol
Exact Mass116.11
IUPAC Name1-amino-1-propan-2-ylguanidine
SMILES[H]/N=C(\N)N(N)C(C)C
InChIInChI=1S/C4H12N4/c1-3(2)8(7)4(5)6/h3H,7H2,1-2H3,(H3,5,6)
InChIKeyZVULFLSAMUXXGS-UHFFFAOYSA-N
XLogP-0.54
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.17
LogP ≤ 5-0.54
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

Amino-ethylguanidine
CID 19819531
1-Amino-1-propylguanidine
CID 19879838
1,2-Diamino-1-ethylguanidine
CID 19966848
1-Amino-1-[3-(dimethylamino)propyl]guanidine
CID 21620355
1,2-Diamino-1-ethylguanidine
CID 53920496
1,2-Diamino-1-ethylguanidine
CID 55279274
1-Amino-1-ethylguanidine;hydrochloride
CID 86084678
1-Amino-1-propylguanidine;hydrochloride
CID 86084681
1-Propan-2-yl-1-(propan-2-ylamino)guanidine
CID 88441620
1-Amino-1-butylguanidine
CID 88441626
1-[Carbamimidoyl(propyl)amino]-2-propan-2-ylguanidine
CID 88620988
1-(Diaminomethylideneamino)-1-pentan-3-ylguanidine
CID 90807273

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-propan-2-ylguanidine?
The IUPAC name of 1-amino-1-propan-2-ylguanidine (CID 86084669) is 1-amino-1-propan-2-ylguanidine.
What is the SMILES notation for 1-amino-1-propan-2-ylguanidine?
The canonical SMILES for 1-amino-1-propan-2-ylguanidine is [H]/N=C(\N)N(N)C(C)C.
What is the InChIKey of 1-amino-1-propan-2-ylguanidine?
The InChIKey is ZVULFLSAMUXXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4/c1-3(2)8(7)4(5)6/h3H,7H2,1-2H3,(H3,5,6).
What are the key properties of 1-amino-1-propan-2-ylguanidine?
1-amino-1-propan-2-ylguanidine has a molecular weight of 116.17 g/mol, XLogP of -0.54, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-propan-2-ylguanidine is sourced from PubChem (CID 86084669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).