1-amino-1-[2-(dimethylamino)ethyl]guanidine

C5H15N5 — CID 55284938

IUPAC1-amino-1-[2-(dimethylamino)ethyl]guanidine
SMILES[H]/N=C(\N)N(N)CCN(C)C
InChIInChI=1S/C5H15N5/c1-9(2)3-4-10(8)5(6)7/h3-4,8H2,1-2H3,(H3,6,7)
InChIKeyPCXBCJYTYGTRFU-UHFFFAOYSA-N
MW145.21 g/mol
LogP-1.38
Rot. Bonds3

About 1-amino-1-[2-(dimethylamino)ethyl]guanidine

1-amino-1-[2-(dimethylamino)ethyl]guanidine (PubChem CID 55284938) has the molecular formula C5H15N5 and a molecular weight of 145.21 g/mol. Its IUPAC name is 1-amino-1-[2-(dimethylamino)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-1-[2-(dimethylamino)ethyl]guanidine
PubChem CID55284938
Molecular FormulaC5H15N5
Molecular Weight145.21 g/mol
Exact Mass145.13
IUPAC Name1-amino-1-[2-(dimethylamino)ethyl]guanidine
SMILES[H]/N=C(\N)N(N)CCN(C)C
InChIInChI=1S/C5H15N5/c1-9(2)3-4-10(8)5(6)7/h3-4,8H2,1-2H3,(H3,6,7)
InChIKeyPCXBCJYTYGTRFU-UHFFFAOYSA-N
XLogP-1.38
TPSA82.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[2-(dimethylamino)ethyl]guanidine?
The IUPAC name of 1-amino-1-[2-(dimethylamino)ethyl]guanidine (CID 55284938) is 1-amino-1-[2-(dimethylamino)ethyl]guanidine.
What is the SMILES notation for 1-amino-1-[2-(dimethylamino)ethyl]guanidine?
The canonical SMILES for 1-amino-1-[2-(dimethylamino)ethyl]guanidine is [H]/N=C(\N)N(N)CCN(C)C.
What is the InChIKey of 1-amino-1-[2-(dimethylamino)ethyl]guanidine?
The InChIKey is PCXBCJYTYGTRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N5/c1-9(2)3-4-10(8)5(6)7/h3-4,8H2,1-2H3,(H3,6,7).
What are the key properties of 1-amino-1-[2-(dimethylamino)ethyl]guanidine?
1-amino-1-[2-(dimethylamino)ethyl]guanidine has a molecular weight of 145.21 g/mol, XLogP of -1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[2-(dimethylamino)ethyl]guanidine is sourced from PubChem (CID 55284938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).