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

C12H25N5 — CID 54738276

IUPAC2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CC(C)N1CCN(C)CC1
InChIInChI=1S/C12H25N5/c1-4-5-14-12(13)15-10-11(2)17-8-6-16(3)7-9-17/h4,11H,1,5-10H2,2-3H3,(H3,13,14,15)
InChIKeyUMBWEWGWOWTBRS-UHFFFAOYSA-N
MW239.37 g/mol
LogP-0.29
Rot. Bonds5

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

2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine (PubChem CID 54738276) has the molecular formula C12H25N5 and a molecular weight of 239.37 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine
PubChem CID54738276
Molecular FormulaC12H25N5
Molecular Weight239.37 g/mol
Exact Mass239.21
IUPAC Name2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CC(C)N1CCN(C)CC1
InChIInChI=1S/C12H25N5/c1-4-5-14-12(13)15-10-11(2)17-8-6-16(3)7-9-17/h4,11H,1,5-10H2,2-3H3,(H3,13,14,15)
InChIKeyUMBWEWGWOWTBRS-UHFFFAOYSA-N
XLogP-0.29
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 5-0.29
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

2,3-Di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine
CID 11528677
N-ethyl-N'-prop-2-enyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376448
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;hydroiodide
CID 109376940
N'-methyl-N-prop-2-enyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376941
2-(4-Methylpiperazin-1-yl)-1,4-dihydropyrimidine
CID 54066096
N'-propan-2-ylpiperazine-1-carboximidamide
CID 54317721
1-(1-But-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine
CID 90847682
1-(4-Methyl-1-pent-2-enyl-4,5-dihydroimidazol-2-yl)piperazine
CID 90905574
1-[4-Methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine
CID 91388993
N-[(E)-1-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide
CID 118973028
N'-prop-2-enylpiperazine-1-carboximidamide
CID 123817252

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine (CID 54738276) is 2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine is C=CCN/C(N)=N/CC(C)N1CCN(C)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine?
The InChIKey is UMBWEWGWOWTBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5/c1-4-5-14-12(13)15-10-11(2)17-8-6-16(3)7-9-17/h4,11H,1,5-10H2,2-3H3,(H3,13,14,15).
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine?
2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine has a molecular weight of 239.37 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine is sourced from PubChem (CID 54738276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).