1-amino-2-[3-(4-methylpiperazin-1-yl)propyl]guanidine

C9H22N6 — CID 14750560

IUPAC1-amino-2-[3-(4-methylpiperazin-1-yl)propyl]guanidine
SMILESCN1CCN(CCC/N=C(\N)NN)CC1
InChIInChI=1S/C9H22N6/c1-14-5-7-15(8-6-14)4-2-3-12-9(10)13-11/h2-8,11H2,1H3,(H3,10,12,13)
InChIKeyMXDPCKATAGBCCP-UHFFFAOYSA-N
MW214.32 g/mol
LogP-1.60
Rot. Bonds4

About 1-amino-2-[3-(4-methylpiperazin-1-yl)propyl]guanidine

1-amino-2-[3-(4-methylpiperazin-1-yl)propyl]guanidine (PubChem CID 14750560) has the molecular formula C9H22N6 and a molecular weight of 214.32 g/mol. Its IUPAC name is 1-amino-2-[3-(4-methylpiperazin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-amino-2-[3-(4-methylpiperazin-1-yl)propyl]guanidine
PubChem CID14750560
Molecular FormulaC9H22N6
Molecular Weight214.32 g/mol
Exact Mass214.19
IUPAC Name1-amino-2-[3-(4-methylpiperazin-1-yl)propyl]guanidine
SMILESCN1CCN(CCC/N=C(\N)NN)CC1
InChIInChI=1S/C9H22N6/c1-14-5-7-15(8-6-14)4-2-3-12-9(10)13-11/h2-8,11H2,1H3,(H3,10,12,13)
InChIKeyMXDPCKATAGBCCP-UHFFFAOYSA-N
XLogP-1.60
TPSA82.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-2-[3-(4-methylpiperazin-1-yl)propyl]guanidine?
The IUPAC name of 1-amino-2-[3-(4-methylpiperazin-1-yl)propyl]guanidine (CID 14750560) is 1-amino-2-[3-(4-methylpiperazin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-amino-2-[3-(4-methylpiperazin-1-yl)propyl]guanidine?
The canonical SMILES for 1-amino-2-[3-(4-methylpiperazin-1-yl)propyl]guanidine is CN1CCN(CCC/N=C(\N)NN)CC1.
What is the InChIKey of 1-amino-2-[3-(4-methylpiperazin-1-yl)propyl]guanidine?
The InChIKey is MXDPCKATAGBCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N6/c1-14-5-7-15(8-6-14)4-2-3-12-9(10)13-11/h2-8,11H2,1H3,(H3,10,12,13).
What are the key properties of 1-amino-2-[3-(4-methylpiperazin-1-yl)propyl]guanidine?
1-amino-2-[3-(4-methylpiperazin-1-yl)propyl]guanidine has a molecular weight of 214.32 g/mol, XLogP of -1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[3-(4-methylpiperazin-1-yl)propyl]guanidine is sourced from PubChem (CID 14750560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).