1-(3-aminopropyl)-1,2-dimethylguanidine

C6H16N4 — CID 141013160

IUPAC1-(3-aminopropyl)-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)CCCN
InChIInChI=1S/C6H16N4/c1-9-6(8)10(2)5-3-4-7/h3-5,7H2,1-2H3,(H2,8,9)
InChIKeyQHQSZCZNQMJRDX-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.79
Rot. Bonds3

About 1-(3-aminopropyl)-1,2-dimethylguanidine

1-(3-aminopropyl)-1,2-dimethylguanidine (PubChem CID 141013160) has the molecular formula C6H16N4 and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-(3-aminopropyl)-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-(3-aminopropyl)-1,2-dimethylguanidine
PubChem CID141013160
Molecular FormulaC6H16N4
Molecular Weight144.22 g/mol
Exact Mass144.14
IUPAC Name1-(3-aminopropyl)-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)CCCN
InChIInChI=1S/C6H16N4/c1-9-6(8)10(2)5-3-4-7/h3-5,7H2,1-2H3,(H2,8,9)
InChIKeyQHQSZCZNQMJRDX-UHFFFAOYSA-N
XLogP-0.79
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-1,2-dimethylguanidine?
The IUPAC name of 1-(3-aminopropyl)-1,2-dimethylguanidine (CID 141013160) is 1-(3-aminopropyl)-1,2-dimethylguanidine.
What is the SMILES notation for 1-(3-aminopropyl)-1,2-dimethylguanidine?
The canonical SMILES for 1-(3-aminopropyl)-1,2-dimethylguanidine is C/N=C(\N)N(C)CCCN.
What is the InChIKey of 1-(3-aminopropyl)-1,2-dimethylguanidine?
The InChIKey is QHQSZCZNQMJRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4/c1-9-6(8)10(2)5-3-4-7/h3-5,7H2,1-2H3,(H2,8,9).
What are the key properties of 1-(3-aminopropyl)-1,2-dimethylguanidine?
1-(3-aminopropyl)-1,2-dimethylguanidine has a molecular weight of 144.22 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-1,2-dimethylguanidine is sourced from PubChem (CID 141013160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).