3-amino-1,2-dimethyl-1-propan-2-ylguanidine

C6H16N4 — CID 104881962

IUPAC3-amino-1,2-dimethyl-1-propan-2-ylguanidine
SMILESC/N=C(\NN)N(C)C(C)C
InChIInChI=1S/C6H16N4/c1-5(2)10(4)6(8-3)9-7/h5H,7H2,1-4H3,(H,8,9)
InChIKeyYJBUETUICFHTMK-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.22
Rot. Bonds1

About 3-amino-1,2-dimethyl-1-propan-2-ylguanidine

3-amino-1,2-dimethyl-1-propan-2-ylguanidine (PubChem CID 104881962) has the molecular formula C6H16N4 and a molecular weight of 144.22 g/mol. Its IUPAC name is 3-amino-1,2-dimethyl-1-propan-2-ylguanidine.

Molecular Properties

Compound Name3-amino-1,2-dimethyl-1-propan-2-ylguanidine
PubChem CID104881962
Molecular FormulaC6H16N4
Molecular Weight144.22 g/mol
Exact Mass144.14
IUPAC Name3-amino-1,2-dimethyl-1-propan-2-ylguanidine
SMILESC/N=C(\NN)N(C)C(C)C
InChIInChI=1S/C6H16N4/c1-5(2)10(4)6(8-3)9-7/h5H,7H2,1-4H3,(H,8,9)
InChIKeyYJBUETUICFHTMK-UHFFFAOYSA-N
XLogP-0.22
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.22
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,2-dimethyl-1-propan-2-ylguanidine?
The IUPAC name of 3-amino-1,2-dimethyl-1-propan-2-ylguanidine (CID 104881962) is 3-amino-1,2-dimethyl-1-propan-2-ylguanidine.
What is the SMILES notation for 3-amino-1,2-dimethyl-1-propan-2-ylguanidine?
The canonical SMILES for 3-amino-1,2-dimethyl-1-propan-2-ylguanidine is C/N=C(\NN)N(C)C(C)C.
What is the InChIKey of 3-amino-1,2-dimethyl-1-propan-2-ylguanidine?
The InChIKey is YJBUETUICFHTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4/c1-5(2)10(4)6(8-3)9-7/h5H,7H2,1-4H3,(H,8,9).
What are the key properties of 3-amino-1,2-dimethyl-1-propan-2-ylguanidine?
3-amino-1,2-dimethyl-1-propan-2-ylguanidine has a molecular weight of 144.22 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,2-dimethyl-1-propan-2-ylguanidine is sourced from PubChem (CID 104881962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).