1-piperazin-1-yl-1-propylguanidine

C8H19N5 — CID 68840015

IUPAC1-piperazin-1-yl-1-propylguanidine
SMILES[H]/N=C(\N)N(CCC)N1CCNCC1
InChIInChI=1S/C8H19N5/c1-2-5-13(8(9)10)12-6-3-11-4-7-12/h11H,2-7H2,1H3,(H3,9,10)
InChIKeyYRVFVTNEEBAPHI-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.59
Rot. Bonds3

About 1-piperazin-1-yl-1-propylguanidine

1-piperazin-1-yl-1-propylguanidine (PubChem CID 68840015) has the molecular formula C8H19N5 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-piperazin-1-yl-1-propylguanidine.

Molecular Properties

Compound Name1-piperazin-1-yl-1-propylguanidine
PubChem CID68840015
Molecular FormulaC8H19N5
Molecular Weight185.27 g/mol
Exact Mass185.16
IUPAC Name1-piperazin-1-yl-1-propylguanidine
SMILES[H]/N=C(\N)N(CCC)N1CCNCC1
InChIInChI=1S/C8H19N5/c1-2-5-13(8(9)10)12-6-3-11-4-7-12/h11H,2-7H2,1H3,(H3,9,10)
InChIKeyYRVFVTNEEBAPHI-UHFFFAOYSA-N
XLogP-0.59
TPSA68.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1,1,2,3-tetra(piperazin-1-yl)-3-propylguanidine
CID 68836529
2-piperazin-1-ylbutanimidamide
CID 54261988
2-ethylpiperazine-1-carboximidamide
CID 159511522
1-butyl-1-hydroxyguanidine
CID 55288777
N-carbamimidoyl-3-(chloromethyl)-N-piperazin-1-ylbenzamide
CID 21257332
N-ethyl-4-piperazin-1-yl-N-propylpiperazin-1-amine
CID 175225881
1-dodecyl-1-pentylguanidine
CID 88762865
1,1-didodecylguanidine
CID 23103902
(Z)-1-piperazin-1-ylhex-2-en-1-imine
CID 176921342
3-(dipropylamino)-1-piperazin-1-ylpropan-1-one
CID 39255849
1-ethyl-1-(2H-pyridin-1-yl)guanidine
CID 68836574
2-amino-4-[carboxy(piperazin-1-yl)amino]butanoic acid
CID 174670395

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-1-propylguanidine?
The IUPAC name of 1-piperazin-1-yl-1-propylguanidine (CID 68840015) is 1-piperazin-1-yl-1-propylguanidine.
What is the SMILES notation for 1-piperazin-1-yl-1-propylguanidine?
The canonical SMILES for 1-piperazin-1-yl-1-propylguanidine is [H]/N=C(\N)N(CCC)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-1-propylguanidine?
The InChIKey is YRVFVTNEEBAPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5/c1-2-5-13(8(9)10)12-6-3-11-4-7-12/h11H,2-7H2,1H3,(H3,9,10).
What are the key properties of 1-piperazin-1-yl-1-propylguanidine?
1-piperazin-1-yl-1-propylguanidine has a molecular weight of 185.27 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-1-propylguanidine is sourced from PubChem (CID 68840015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).