1-methylidene-3-[(Z)-N'-[(4-methylpiperazin-1-yl)methyl]-N-prop-2-enylcarbamimidoyl]-2-prop-2-enylguanidine

C15H27N7 — CID 142101601

IUPAC1-methylidene-3-[(Z)-N'-[(4-methylpiperazin-1-yl)methyl]-N-prop-2-enylcarbamimidoyl]-2-prop-2-enylguanidine
SMILESC=CC/N=C(\N=C)N/C(=N\CN1CCN(C)CC1)NCC=C
InChIInChI=1S/C15H27N7/c1-5-7-17-14(16-3)20-15(18-8-6-2)19-13-22-11-9-21(4)10-12-22/h5-6H,1-3,7-13H2,4H3,(H2,17,18,19,20)
InChIKeyPVSPNXNJTVYZPN-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.16
Rot. Bonds6

About 1-methylidene-3-[(Z)-N'-[(4-methylpiperazin-1-yl)methyl]-N-prop-2-enylcarbamimidoyl]-2-prop-2-enylguanidine

1-methylidene-3-[(Z)-N'-[(4-methylpiperazin-1-yl)methyl]-N-prop-2-enylcarbamimidoyl]-2-prop-2-enylguanidine (PubChem CID 142101601) has the molecular formula C15H27N7 and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-methylidene-3-[(Z)-N'-[(4-methylpiperazin-1-yl)methyl]-N-prop-2-enylcarbamimidoyl]-2-prop-2-enylguanidine.

Molecular Properties

Compound Name1-methylidene-3-[(Z)-N'-[(4-methylpiperazin-1-yl)methyl]-N-prop-2-enylcarbamimidoyl]-2-prop-2-enylguanidine
PubChem CID142101601
Molecular FormulaC15H27N7
Molecular Weight305.43 g/mol
Exact Mass305.23
IUPAC Name1-methylidene-3-[(Z)-N'-[(4-methylpiperazin-1-yl)methyl]-N-prop-2-enylcarbamimidoyl]-2-prop-2-enylguanidine
SMILESC=CC/N=C(\N=C)N/C(=N\CN1CCN(C)CC1)NCC=C
InChIInChI=1S/C15H27N7/c1-5-7-17-14(16-3)20-15(18-8-6-2)19-13-22-11-9-21(4)10-12-22/h5-6H,1-3,7-13H2,4H3,(H2,17,18,19,20)
InChIKeyPVSPNXNJTVYZPN-UHFFFAOYSA-N
XLogP0.16
TPSA67.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 1-methylidene-3-[(Z)-N'-[(4-methylpiperazin-1-yl)methyl]-N-prop-2-enylcarbamimidoyl]-2-prop-2-enylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-Ethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3-prop-2-enylguanidine
CID 136926189
2-piperazin-1-yl-4H-pyrimidine-3-carbonitrile
CID 53892295
2-(4-Methylpiperazin-1-yl)-1,4-dihydropyrimidine
CID 54066096
3-piperazin-2-yl-4H-pyrimidine
CID 57229577
1-(1-Prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine
CID 69238784
N-[1-(1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]prop-2-en-1-amine
CID 69731760
2-Piperazin-1-yl-1,4-dihydropyrimidine
CID 89128712
3-(piperazin-1-ylmethyl)-4H-pyrimidine
CID 90821929

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-3-[(Z)-N'-[(4-methylpiperazin-1-yl)methyl]-N-prop-2-enylcarbamimidoyl]-2-prop-2-enylguanidine?
The IUPAC name of 1-methylidene-3-[(Z)-N'-[(4-methylpiperazin-1-yl)methyl]-N-prop-2-enylcarbamimidoyl]-2-prop-2-enylguanidine (CID 142101601) is 1-methylidene-3-[(Z)-N'-[(4-methylpiperazin-1-yl)methyl]-N-prop-2-enylcarbamimidoyl]-2-prop-2-enylguanidine.
What is the SMILES notation for 1-methylidene-3-[(Z)-N'-[(4-methylpiperazin-1-yl)methyl]-N-prop-2-enylcarbamimidoyl]-2-prop-2-enylguanidine?
The canonical SMILES for 1-methylidene-3-[(Z)-N'-[(4-methylpiperazin-1-yl)methyl]-N-prop-2-enylcarbamimidoyl]-2-prop-2-enylguanidine is C=CC/N=C(\N=C)N/C(=N\CN1CCN(C)CC1)NCC=C.
What is the InChIKey of 1-methylidene-3-[(Z)-N'-[(4-methylpiperazin-1-yl)methyl]-N-prop-2-enylcarbamimidoyl]-2-prop-2-enylguanidine?
The InChIKey is PVSPNXNJTVYZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N7/c1-5-7-17-14(16-3)20-15(18-8-6-2)19-13-22-11-9-21(4)10-12-22/h5-6H,1-3,7-13H2,4H3,(H2,17,18,19,20).
What are the key properties of 1-methylidene-3-[(Z)-N'-[(4-methylpiperazin-1-yl)methyl]-N-prop-2-enylcarbamimidoyl]-2-prop-2-enylguanidine?
1-methylidene-3-[(Z)-N'-[(4-methylpiperazin-1-yl)methyl]-N-prop-2-enylcarbamimidoyl]-2-prop-2-enylguanidine has a molecular weight of 305.43 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-3-[(Z)-N'-[(4-methylpiperazin-1-yl)methyl]-N-prop-2-enylcarbamimidoyl]-2-prop-2-enylguanidine is sourced from PubChem (CID 142101601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).