1-amino-3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)guanidine

C11H25N5 — CID 104883734

IUPAC1-amino-3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\NN)NC1CCN(C)CC1
InChIInChI=1S/C11H25N5/c1-9(2)8-13-11(15-12)14-10-4-6-16(3)7-5-10/h9-10H,4-8,12H2,1-3H3,(H2,13,14,15)
InChIKeyDOJPJRRZDCPBDQ-UHFFFAOYSA-N
MW227.36 g/mol
LogP0.15
Rot. Bonds3

About 1-amino-3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)guanidine

1-amino-3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)guanidine (PubChem CID 104883734) has the molecular formula C11H25N5 and a molecular weight of 227.36 g/mol. Its IUPAC name is 1-amino-3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)guanidine
PubChem CID104883734
Molecular FormulaC11H25N5
Molecular Weight227.36 g/mol
Exact Mass227.21
IUPAC Name1-amino-3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\NN)NC1CCN(C)CC1
InChIInChI=1S/C11H25N5/c1-9(2)8-13-11(15-12)14-10-4-6-16(3)7-5-10/h9-10H,4-8,12H2,1-3H3,(H2,13,14,15)
InChIKeyDOJPJRRZDCPBDQ-UHFFFAOYSA-N
XLogP0.15
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-amino-3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)guanidine (CID 104883734) is 1-amino-3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-amino-3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\NN)NC1CCN(C)CC1.
What is the InChIKey of 1-amino-3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)guanidine?
The InChIKey is DOJPJRRZDCPBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5/c1-9(2)8-13-11(15-12)14-10-4-6-16(3)7-5-10/h9-10H,4-8,12H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-amino-3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)guanidine?
1-amino-3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)guanidine has a molecular weight of 227.36 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 104883734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).