3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine

C15H31N5 — CID 109499144

IUPAC3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCC1CN(C)CCN1C
InChIInChI=1S/C15H31N5/c1-6-7-8-9-20(5)15(16-2)17-12-14-13-18(3)10-11-19(14)4/h6,14H,1,7-13H2,2-5H3,(H,16,17)
InChIKeyZZOKCYNPEJVVGF-UHFFFAOYSA-N
MW281.45 g/mol
LogP0.71
Rot. Bonds6

About 3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine

3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine (PubChem CID 109499144) has the molecular formula C15H31N5 and a molecular weight of 281.45 g/mol. Its IUPAC name is 3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine.

Molecular Properties

Compound Name3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine
PubChem CID109499144
Molecular FormulaC15H31N5
Molecular Weight281.45 g/mol
Exact Mass281.26
IUPAC Name3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCC1CN(C)CCN1C
InChIInChI=1S/C15H31N5/c1-6-7-8-9-20(5)15(16-2)17-12-14-13-18(3)10-11-19(14)4/h6,14H,1,7-13H2,2-5H3,(H,16,17)
InChIKeyZZOKCYNPEJVVGF-UHFFFAOYSA-N
XLogP0.71
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

1-[1-[1-(dimethylamino)prop-2-enyl]piperazin-2-yl]-N,N-dimethylprop-2-en-1-amine
CID 66668702
1-Methyl-1-pent-4-enyl-2,3-di(propan-2-yl)guanidine
CID 90360688
6-[(3R)-3,4-dimethylpiperazin-1-yl]-4-[(Z)-prop-1-enyl]-1,4,5,6-tetrahydropyrimidine
CID 90453784
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
6-prop-1-enyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
CID 141271071
6-ethenyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
CID 141271072
4-ethyl-6-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
CID 153836413
2-[2-(4-Methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine
CID 54738276
3-[2-(4-Ethylpiperazin-1-yl)propyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109482906
3-[2-(4-Ethylpiperazin-1-yl)propyl]-1-hept-6-enyl-1,2-dimethylguanidine
CID 109482907
3-Ethyl-1-hept-6-enyl-1-methyl-2-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 109482944

Frequently Asked Questions

What is the IUPAC name of 3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The IUPAC name of 3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine (CID 109499144) is 3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine.
What is the SMILES notation for 3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The canonical SMILES for 3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine is C=CCCCN(C)/C(=N\C)NCC1CN(C)CCN1C.
What is the InChIKey of 3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The InChIKey is ZZOKCYNPEJVVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5/c1-6-7-8-9-20(5)15(16-2)17-12-14-13-18(3)10-11-19(14)4/h6,14H,1,7-13H2,2-5H3,(H,16,17).
What are the key properties of 3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine?
3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine has a molecular weight of 281.45 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine is sourced from PubChem (CID 109499144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).