2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine

C13H27N5 — CID 54732010

IUPAC2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C13H27N5/c1-5-6-15-12(14)16-11-13(2,3)18-9-7-17(4)8-10-18/h5H,1,6-11H2,2-4H3,(H3,14,15,16)
InChIKeyAUHDZZXPFBRJGV-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.10
Rot. Bonds5

About 2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine

2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine (PubChem CID 54732010) has the molecular formula C13H27N5 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine.

Molecular Properties

Compound Name2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine
PubChem CID54732010
Molecular FormulaC13H27N5
Molecular Weight253.39 g/mol
Exact Mass253.23
IUPAC Name2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C13H27N5/c1-5-6-15-12(14)16-11-13(2,3)18-9-7-17(4)8-10-18/h5H,1,6-11H2,2-4H3,(H3,14,15,16)
InChIKeyAUHDZZXPFBRJGV-UHFFFAOYSA-N
XLogP0.10
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-prop-2-enyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376449
N'-methyl-N-prop-2-enyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376941
1-(1-But-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine
CID 90847682
1-[4-Methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine
CID 91388993
N'-prop-2-enylpiperazine-1-carboximidamide
CID 123817252
N-methylidene-N'-[(Z)-prop-1-enyl]piperazine-1-carboximidamide
CID 129253175
4,4-dimethyl-2-piperazin-1-yl-1H-pyrimidine
CID 139986213
1-methylidene-3-[(Z)-N'-[(4-methylpiperazin-1-yl)methyl]-N-prop-2-enylcarbamimidoyl]-2-prop-2-enylguanidine
CID 142101601
3-methyl-2-piperazin-1-yl-4H-pyrimidine
CID 143573084
2,2-dimethyl-N-methylidene-N'-[(Z)-prop-1-enyl]piperazine-1-carboximidamide
CID 144745253
N,N'-bis(prop-2-enyl)methanimidamide;1-methyl-4-propylpiperazine
CID 157747304
2-[2-Methyl-2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
CID 54732009

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine?
The IUPAC name of 2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine (CID 54732010) is 2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine.
What is the SMILES notation for 2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine?
The canonical SMILES for 2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine is C=CCN/C(N)=N/CC(C)(C)N1CCN(C)CC1.
What is the InChIKey of 2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine?
The InChIKey is AUHDZZXPFBRJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5/c1-5-6-15-12(14)16-11-13(2,3)18-9-7-17(4)8-10-18/h5H,1,6-11H2,2-4H3,(H3,14,15,16).
What are the key properties of 2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine?
2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine has a molecular weight of 253.39 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine is sourced from PubChem (CID 54732010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).