1,1-diethyl-2-(3-piperidin-1-ylbutyl)guanidine

C14H30N4 — CID 110032404

IUPAC1,1-diethyl-2-(3-piperidin-1-ylbutyl)guanidine
SMILESCCN(CC)/C(N)=N/CCC(C)N1CCCCC1
InChIInChI=1S/C14H30N4/c1-4-17(5-2)14(15)16-10-9-13(3)18-11-7-6-8-12-18/h13H,4-12H2,1-3H3,(H2,15,16)
InChIKeyVQNGIUOGPGSHIY-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.91
Rot. Bonds6

About 1,1-diethyl-2-(3-piperidin-1-ylbutyl)guanidine

1,1-diethyl-2-(3-piperidin-1-ylbutyl)guanidine (PubChem CID 110032404) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1,1-diethyl-2-(3-piperidin-1-ylbutyl)guanidine.

Molecular Properties

Compound Name1,1-diethyl-2-(3-piperidin-1-ylbutyl)guanidine
PubChem CID110032404
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name1,1-diethyl-2-(3-piperidin-1-ylbutyl)guanidine
SMILESCCN(CC)/C(N)=N/CCC(C)N1CCCCC1
InChIInChI=1S/C14H30N4/c1-4-17(5-2)14(15)16-10-9-13(3)18-11-7-6-8-12-18/h13H,4-12H2,1-3H3,(H2,15,16)
InChIKeyVQNGIUOGPGSHIY-UHFFFAOYSA-N
XLogP1.91
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
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 1,1-diethyl-2-(3-piperidin-1-ylbutyl)guanidine?
The IUPAC name of 1,1-diethyl-2-(3-piperidin-1-ylbutyl)guanidine (CID 110032404) is 1,1-diethyl-2-(3-piperidin-1-ylbutyl)guanidine.
What is the SMILES notation for 1,1-diethyl-2-(3-piperidin-1-ylbutyl)guanidine?
The canonical SMILES for 1,1-diethyl-2-(3-piperidin-1-ylbutyl)guanidine is CCN(CC)/C(N)=N/CCC(C)N1CCCCC1.
What is the InChIKey of 1,1-diethyl-2-(3-piperidin-1-ylbutyl)guanidine?
The InChIKey is VQNGIUOGPGSHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-4-17(5-2)14(15)16-10-9-13(3)18-11-7-6-8-12-18/h13H,4-12H2,1-3H3,(H2,15,16).
What are the key properties of 1,1-diethyl-2-(3-piperidin-1-ylbutyl)guanidine?
1,1-diethyl-2-(3-piperidin-1-ylbutyl)guanidine has a molecular weight of 254.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-(3-piperidin-1-ylbutyl)guanidine is sourced from PubChem (CID 110032404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).