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

C19H32N4S — CID 109496278

IUPAC1,2-dimethyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCC1CCCN(C)C1c1cccs1
InChIInChI=1S/C19H32N4S/c1-5-6-7-12-23(4)19(20-2)21-15-16-10-8-13-22(3)18(16)17-11-9-14-24-17/h5,9,11,14,16,18H,1,6-8,10,12-13,15H2,2-4H3,(H,20,21)
InChIKeyDAKVRQAZSZZPFC-UHFFFAOYSA-N
MW348.56 g/mol
LogP3.60
Rot. Bonds7

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

1,2-dimethyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1-pent-4-enylguanidine (PubChem CID 109496278) has the molecular formula C19H32N4S and a molecular weight of 348.56 g/mol. Its IUPAC name is 1,2-dimethyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1-pent-4-enylguanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1-pent-4-enylguanidine
PubChem CID109496278
Molecular FormulaC19H32N4S
Molecular Weight348.56 g/mol
Exact Mass348.23
IUPAC Name1,2-dimethyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCC1CCCN(C)C1c1cccs1
InChIInChI=1S/C19H32N4S/c1-5-6-7-12-23(4)19(20-2)21-15-16-10-8-13-22(3)18(16)17-11-9-14-24-17/h5,9,11,14,16,18H,1,6-8,10,12-13,15H2,2-4H3,(H,20,21)
InChIKeyDAKVRQAZSZZPFC-UHFFFAOYSA-N
XLogP3.60
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 53.60
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'}

Analyze 1,2-dimethyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1-pent-4-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

1,2-dimethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1-pent-4-enylguanidine;hydroiodide
CID 109498685
N'-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109441562
2-methyl-1-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide
CID 111667009
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine
CID 111666158
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111666495
1,2-dimethyl-3-[[2-(4-methylphenyl)oxan-3-yl]methyl]-1-pent-4-enylguanidine
CID 109497344
1-ethyl-2-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-prop-2-enylguanidine
CID 111666042
1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111665897
2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine
CID 111666934
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine
CID 111666004
2-methyl-1-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-(oxan-2-ylmethyl)guanidine;hydroiodide
CID 119141797
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine
CID 109468851

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1-pent-4-enylguanidine?
The IUPAC name of 1,2-dimethyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1-pent-4-enylguanidine (CID 109496278) is 1,2-dimethyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1-pent-4-enylguanidine.
What is the SMILES notation for 1,2-dimethyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1-pent-4-enylguanidine?
The canonical SMILES for 1,2-dimethyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1-pent-4-enylguanidine is C=CCCCN(C)/C(=N\C)NCC1CCCN(C)C1c1cccs1.
What is the InChIKey of 1,2-dimethyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1-pent-4-enylguanidine?
The InChIKey is DAKVRQAZSZZPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4S/c1-5-6-7-12-23(4)19(20-2)21-15-16-10-8-13-22(3)18(16)17-11-9-14-24-17/h5,9,11,14,16,18H,1,6-8,10,12-13,15H2,2-4H3,(H,20,21).
What are the key properties of 1,2-dimethyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1-pent-4-enylguanidine?
1,2-dimethyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1-pent-4-enylguanidine has a molecular weight of 348.56 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1-pent-4-enylguanidine is sourced from PubChem (CID 109496278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).