1,1-dipentylguanidine

C11H25N3 — CID 21218368

IUPAC1,1-dipentylguanidine
SMILES[H]/N=C(\N)N(CCCCC)CCCCC
InChIInChI=1S/C11H25N3/c1-3-5-7-9-14(11(12)13)10-8-6-4-2/h3-10H2,1-2H3,(H3,12,13)
InChIKeySBFBPEVOKQRGSK-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.56
Rot. Bonds8

About 1,1-dipentylguanidine

1,1-dipentylguanidine (PubChem CID 21218368) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 1,1-dipentylguanidine.

Molecular Properties

Compound Name1,1-dipentylguanidine
PubChem CID21218368
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name1,1-dipentylguanidine
SMILES[H]/N=C(\N)N(CCCCC)CCCCC
InChIInChI=1S/C11H25N3/c1-3-5-7-9-14(11(12)13)10-8-6-4-2/h3-10H2,1-2H3,(H3,12,13)
InChIKeySBFBPEVOKQRGSK-UHFFFAOYSA-N
XLogP2.56
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-dipentylguanidine?
The IUPAC name of 1,1-dipentylguanidine (CID 21218368) is 1,1-dipentylguanidine.
What is the SMILES notation for 1,1-dipentylguanidine?
The canonical SMILES for 1,1-dipentylguanidine is [H]/N=C(\N)N(CCCCC)CCCCC.
What is the InChIKey of 1,1-dipentylguanidine?
The InChIKey is SBFBPEVOKQRGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-3-5-7-9-14(11(12)13)10-8-6-4-2/h3-10H2,1-2H3,(H3,12,13).
What are the key properties of 1,1-dipentylguanidine?
1,1-dipentylguanidine has a molecular weight of 199.34 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dipentylguanidine is sourced from PubChem (CID 21218368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).