1-amino-3-butyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine

C14H31N5 — CID 104882998

IUPAC1-amino-3-butyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine
SMILESCCCCN/C(=N\CCCN1CCCCC1C)NN
InChIInChI=1S/C14H31N5/c1-3-4-9-16-14(18-15)17-10-7-12-19-11-6-5-8-13(19)2/h13H,3-12,15H2,1-2H3,(H2,16,17,18)
InChIKeyAURUZHCPEIDYOT-UHFFFAOYSA-N
MW269.44 g/mol
LogP1.46
Rot. Bonds7

About 1-amino-3-butyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine

1-amino-3-butyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine (PubChem CID 104882998) has the molecular formula C14H31N5 and a molecular weight of 269.44 g/mol. Its IUPAC name is 1-amino-3-butyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-amino-3-butyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine
PubChem CID104882998
Molecular FormulaC14H31N5
Molecular Weight269.44 g/mol
Exact Mass269.26
IUPAC Name1-amino-3-butyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine
SMILESCCCCN/C(=N\CCCN1CCCCC1C)NN
InChIInChI=1S/C14H31N5/c1-3-4-9-16-14(18-15)17-10-7-12-19-11-6-5-8-13(19)2/h13H,3-12,15H2,1-2H3,(H2,16,17,18)
InChIKeyAURUZHCPEIDYOT-UHFFFAOYSA-N
XLogP1.46
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-butyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-amino-3-butyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine (CID 104882998) is 1-amino-3-butyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-amino-3-butyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-amino-3-butyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine is CCCCN/C(=N\CCCN1CCCCC1C)NN.
What is the InChIKey of 1-amino-3-butyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The InChIKey is AURUZHCPEIDYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N5/c1-3-4-9-16-14(18-15)17-10-7-12-19-11-6-5-8-13(19)2/h13H,3-12,15H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-amino-3-butyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
1-amino-3-butyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine has a molecular weight of 269.44 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-butyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 104882998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).