1,1,2,3-tetra(piperazin-1-yl)-3-propylguanidine

C20H43N11 — CID 68836529

IUPAC1,1,2,3-tetra(piperazin-1-yl)-3-propylguanidine
SMILESCCCN(C(=NN1CCNCC1)N(N1CCNCC1)N1CCNCC1)N1CCNCC1
InChIInChI=1S/C20H43N11/c1-2-11-30(27-14-5-22-6-15-27)20(25-26-12-3-21-4-13-26)31(28-16-7-23-8-17-28)29-18-9-24-10-19-29/h21-24H,2-19H2,1H3
InChIKeySOLDMBALACSHOT-UHFFFAOYSA-N
MW437.64 g/mol
LogP-2.36
Rot. Bonds6

About 1,1,2,3-tetra(piperazin-1-yl)-3-propylguanidine

1,1,2,3-tetra(piperazin-1-yl)-3-propylguanidine (PubChem CID 68836529) has the molecular formula C20H43N11 and a molecular weight of 437.64 g/mol. Its IUPAC name is 1,1,2,3-tetra(piperazin-1-yl)-3-propylguanidine.

Molecular Properties

Compound Name1,1,2,3-tetra(piperazin-1-yl)-3-propylguanidine
PubChem CID68836529
Molecular FormulaC20H43N11
Molecular Weight437.64 g/mol
Exact Mass437.37
IUPAC Name1,1,2,3-tetra(piperazin-1-yl)-3-propylguanidine
SMILESCCCN(C(=NN1CCNCC1)N(N1CCNCC1)N1CCNCC1)N1CCNCC1
InChIInChI=1S/C20H43N11/c1-2-11-30(27-14-5-22-6-15-27)20(25-26-12-3-21-4-13-26)31(28-16-7-23-8-17-28)29-18-9-24-10-19-29/h21-24H,2-19H2,1H3
InChIKeySOLDMBALACSHOT-UHFFFAOYSA-N
XLogP-2.36
TPSA79.92 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.64
LogP ≤ 5-2.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-piperazin-1-yl-1-propylguanidine
CID 68840015
N-ethyl-4-piperazin-1-yl-N-propylpiperazin-1-amine
CID 175225881
3-(dipropylamino)-1-piperazin-1-ylpropan-1-one
CID 39255849
N-methyl-N-[(4-piperazin-1-ylphenyl)methyl]propan-1-amine
CID 153390444
1-benzyl-1-piperazin-1-ylurea
CID 155292874
1-(dipropylamino)-3-piperazin-1-ylpropan-2-ol
CID 54773428
2-[methyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43271283
2-amino-4-[carboxy(piperazin-1-yl)amino]butanoic acid
CID 174670395
2-piperazin-1-yl-N-propan-2-yl-N-propylacetamide
CID 43269882
1-ethylpiperazine;pentan-1-ol
CID 175276657
N,2,2-trimethyl-3-piperazin-1-yl-N-propylpropanamide
CID 115189037
N-butyl-N-methyl-2-piperazin-1-ylpropanamide
CID 43130649

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3-tetra(piperazin-1-yl)-3-propylguanidine?
The IUPAC name of 1,1,2,3-tetra(piperazin-1-yl)-3-propylguanidine (CID 68836529) is 1,1,2,3-tetra(piperazin-1-yl)-3-propylguanidine.
What is the SMILES notation for 1,1,2,3-tetra(piperazin-1-yl)-3-propylguanidine?
The canonical SMILES for 1,1,2,3-tetra(piperazin-1-yl)-3-propylguanidine is CCCN(C(=NN1CCNCC1)N(N1CCNCC1)N1CCNCC1)N1CCNCC1.
What is the InChIKey of 1,1,2,3-tetra(piperazin-1-yl)-3-propylguanidine?
The InChIKey is SOLDMBALACSHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N11/c1-2-11-30(27-14-5-22-6-15-27)20(25-26-12-3-21-4-13-26)31(28-16-7-23-8-17-28)29-18-9-24-10-19-29/h21-24H,2-19H2,1H3.
What are the key properties of 1,1,2,3-tetra(piperazin-1-yl)-3-propylguanidine?
1,1,2,3-tetra(piperazin-1-yl)-3-propylguanidine has a molecular weight of 437.64 g/mol, XLogP of -2.36, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetra(piperazin-1-yl)-3-propylguanidine is sourced from PubChem (CID 68836529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).