1-cyclopropyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine

C14H28N4 — CID 47091792

IUPAC1-cyclopropyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine
SMILESCC1CCCN(CCCC/N=C(\N)NC2CC2)C1
InChIInChI=1S/C14H28N4/c1-12-5-4-10-18(11-12)9-3-2-8-16-14(15)17-13-6-7-13/h12-13H,2-11H2,1H3,(H3,15,16,17)
InChIKeyIPMGGSWNQQULLB-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.57
Rot. Bonds6

About 1-cyclopropyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine

1-cyclopropyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine (PubChem CID 47091792) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine
PubChem CID47091792
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-cyclopropyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine
SMILESCC1CCCN(CCCC/N=C(\N)NC2CC2)C1
InChIInChI=1S/C14H28N4/c1-12-5-4-10-18(11-12)9-3-2-8-16-14(15)17-13-6-7-13/h12-13H,2-11H2,1H3,(H3,15,16,17)
InChIKeyIPMGGSWNQQULLB-UHFFFAOYSA-N
XLogP1.57
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-cyclopropyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine (CID 47091792) is 1-cyclopropyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine is CC1CCCN(CCCC/N=C(\N)NC2CC2)C1.
What is the InChIKey of 1-cyclopropyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine?
The InChIKey is IPMGGSWNQQULLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-12-5-4-10-18(11-12)9-3-2-8-16-14(15)17-13-6-7-13/h12-13H,2-11H2,1H3,(H3,15,16,17).
What are the key properties of 1-cyclopropyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine?
1-cyclopropyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine has a molecular weight of 252.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine is sourced from PubChem (CID 47091792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).