1,1-dipropylguanidine

C7H17N3 — CID 9494

IUPAC1,1-dipropylguanidine
SMILES[H]/N=C(\N)N(CCC)CCC
InChIInChI=1S/C7H17N3/c1-3-5-10(6-4-2)7(8)9/h3-6H2,1-2H3,(H3,8,9)
InChIKeyJMJVKOUWWKEIBN-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.00
Rot. Bonds4

About 1,1-dipropylguanidine

1,1-dipropylguanidine (PubChem CID 9494) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 1,1-dipropylguanidine.

Molecular Properties

Compound Name1,1-dipropylguanidine
PubChem CID9494
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name1,1-dipropylguanidine
SMILES[H]/N=C(\N)N(CCC)CCC
InChIInChI=1S/C7H17N3/c1-3-5-10(6-4-2)7(8)9/h3-6H2,1-2H3,(H3,8,9)
InChIKeyJMJVKOUWWKEIBN-UHFFFAOYSA-N
XLogP1.00
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 1,1-dipropylguanidine?
The IUPAC name of 1,1-dipropylguanidine (CID 9494) is 1,1-dipropylguanidine.
What is the SMILES notation for 1,1-dipropylguanidine?
The canonical SMILES for 1,1-dipropylguanidine is [H]/N=C(\N)N(CCC)CCC.
What is the InChIKey of 1,1-dipropylguanidine?
The InChIKey is JMJVKOUWWKEIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-3-5-10(6-4-2)7(8)9/h3-6H2,1-2H3,(H3,8,9).
What are the key properties of 1,1-dipropylguanidine?
1,1-dipropylguanidine has a molecular weight of 143.23 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dipropylguanidine is sourced from PubChem (CID 9494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).