1,1,3-trimethyl-3-propylguanidine

C7H17N3 — CID 54447877

IUPAC1,1,3-trimethyl-3-propylguanidine
SMILES[H]/N=C(\N(C)C)N(C)CCC
InChIInChI=1S/C7H17N3/c1-5-6-10(4)7(8)9(2)3/h8H,5-6H2,1-4H3/b8-7+
InChIKeyWSVDDLIOOPCZND-BQYQJAHWSA-N
MW143.23 g/mol
LogP0.82
Rot. Bonds2

About 1,1,3-trimethyl-3-propylguanidine

1,1,3-trimethyl-3-propylguanidine (PubChem CID 54447877) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-propylguanidine.

Molecular Properties

Compound Name1,1,3-trimethyl-3-propylguanidine
PubChem CID54447877
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name1,1,3-trimethyl-3-propylguanidine
SMILES[H]/N=C(\N(C)C)N(C)CCC
InChIInChI=1S/C7H17N3/c1-5-6-10(4)7(8)9(2)3/h8H,5-6H2,1-4H3/b8-7+
InChIKeyWSVDDLIOOPCZND-BQYQJAHWSA-N
XLogP0.82
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
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 1,1,3-trimethyl-3-propylguanidine?
The IUPAC name of 1,1,3-trimethyl-3-propylguanidine (CID 54447877) is 1,1,3-trimethyl-3-propylguanidine.
What is the SMILES notation for 1,1,3-trimethyl-3-propylguanidine?
The canonical SMILES for 1,1,3-trimethyl-3-propylguanidine is [H]/N=C(\N(C)C)N(C)CCC.
What is the InChIKey of 1,1,3-trimethyl-3-propylguanidine?
The InChIKey is WSVDDLIOOPCZND-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H17N3/c1-5-6-10(4)7(8)9(2)3/h8H,5-6H2,1-4H3/b8-7+.
What are the key properties of 1,1,3-trimethyl-3-propylguanidine?
1,1,3-trimethyl-3-propylguanidine has a molecular weight of 143.23 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-propylguanidine is sourced from PubChem (CID 54447877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).