1-amino-2,3-dipropylguanidine

C7H18N4 — CID 55280464

IUPAC1-amino-2,3-dipropylguanidine
SMILESCCC/N=C(\NN)NCCC
InChIInChI=1S/C7H18N4/c1-3-5-9-7(11-8)10-6-4-2/h3-6,8H2,1-2H3,(H2,9,10,11)
InChIKeyGDWKMYUQJAOYJG-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.22
Rot. Bonds4

About 1-amino-2,3-dipropylguanidine

1-amino-2,3-dipropylguanidine (PubChem CID 55280464) has the molecular formula C7H18N4 and a molecular weight of 158.25 g/mol. Its IUPAC name is 1-amino-2,3-dipropylguanidine.

Molecular Properties

Compound Name1-amino-2,3-dipropylguanidine
PubChem CID55280464
Molecular FormulaC7H18N4
Molecular Weight158.25 g/mol
Exact Mass158.15
IUPAC Name1-amino-2,3-dipropylguanidine
SMILESCCC/N=C(\NN)NCCC
InChIInChI=1S/C7H18N4/c1-3-5-9-7(11-8)10-6-4-2/h3-6,8H2,1-2H3,(H2,9,10,11)
InChIKeyGDWKMYUQJAOYJG-UHFFFAOYSA-N
XLogP0.22
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.22
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-2,3-dipropylguanidine?
The IUPAC name of 1-amino-2,3-dipropylguanidine (CID 55280464) is 1-amino-2,3-dipropylguanidine.
What is the SMILES notation for 1-amino-2,3-dipropylguanidine?
The canonical SMILES for 1-amino-2,3-dipropylguanidine is CCC/N=C(\NN)NCCC.
What is the InChIKey of 1-amino-2,3-dipropylguanidine?
The InChIKey is GDWKMYUQJAOYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4/c1-3-5-9-7(11-8)10-6-4-2/h3-6,8H2,1-2H3,(H2,9,10,11).
What are the key properties of 1-amino-2,3-dipropylguanidine?
1-amino-2,3-dipropylguanidine has a molecular weight of 158.25 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,3-dipropylguanidine is sourced from PubChem (CID 55280464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).