1-cyclopropyl-1-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine

C13H26N4 — CID 110030671

IUPAC1-cyclopropyl-1-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
SMILESCN1CCC(CC/N=C(\N)N(C)C2CC2)CC1
InChIInChI=1S/C13H26N4/c1-16-9-6-11(7-10-16)5-8-15-13(14)17(2)12-3-4-12/h11-12H,3-10H2,1-2H3,(H2,14,15)
InChIKeyIOWFESBMFAKZIV-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.13
Rot. Bonds4

About 1-cyclopropyl-1-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine

1-cyclopropyl-1-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine (PubChem CID 110030671) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
PubChem CID110030671
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-cyclopropyl-1-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
SMILESCN1CCC(CC/N=C(\N)N(C)C2CC2)CC1
InChIInChI=1S/C13H26N4/c1-16-9-6-11(7-10-16)5-8-15-13(14)17(2)12-3-4-12/h11-12H,3-10H2,1-2H3,(H2,14,15)
InChIKeyIOWFESBMFAKZIV-UHFFFAOYSA-N
XLogP1.13
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.13
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-cyclopropyl-1-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine (CID 110030671) is 1-cyclopropyl-1-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine is CN1CCC(CC/N=C(\N)N(C)C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine?
The InChIKey is IOWFESBMFAKZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-16-9-6-11(7-10-16)5-8-15-13(14)17(2)12-3-4-12/h11-12H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of 1-cyclopropyl-1-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine?
1-cyclopropyl-1-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine has a molecular weight of 238.38 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine is sourced from PubChem (CID 110030671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).