1,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-1-pent-4-enylguanidine;hydroiodide

C17H35IN4 — CID 109498137

IUPAC1,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N\C)NCCCN1CCCCC1C.I
InChIInChI=1S/C17H34N4.HI/c1-5-6-8-13-20(4)17(18-3)19-12-10-15-21-14-9-7-11-16(21)2;/h5,16H,1,6-15H2,2-4H3,(H,18,19);1H
InChIKeyMVNGNFYJPCWRJN-UHFFFAOYSA-N
MW422.40 g/mol
LogP3.34
Rot. Bonds8

About 1,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-1-pent-4-enylguanidine;hydroiodide

1,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-1-pent-4-enylguanidine;hydroiodide (PubChem CID 109498137) has the molecular formula C17H35IN4 and a molecular weight of 422.40 g/mol. Its IUPAC name is 1,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-1-pent-4-enylguanidine;hydroiodide.

Molecular Properties

Compound Name1,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-1-pent-4-enylguanidine;hydroiodide
PubChem CID109498137
Molecular FormulaC17H35IN4
Molecular Weight422.40 g/mol
Exact Mass422.19
IUPAC Name1,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N\C)NCCCN1CCCCC1C.I
InChIInChI=1S/C17H34N4.HI/c1-5-6-8-13-20(4)17(18-3)19-12-10-15-21-14-9-7-11-16(21)2;/h5,16H,1,6-15H2,2-4H3,(H,18,19);1H
InChIKeyMVNGNFYJPCWRJN-UHFFFAOYSA-N
XLogP3.34
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Hept-6-enyl-1,2-dimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 109484300
4-butyl-2-N-methyl-2-N-piperidin-4-yl-1H-pyrimidine-2,4-diamine
CID 153898687
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
3-Ethyl-1-hept-6-enyl-1-methyl-2-[2-(4-methylpiperazin-1-yl)propyl]guanidine
CID 109482945
1-Hept-6-enyl-1,2-dimethyl-3-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 109483012
1-Hept-6-enyl-1,2-dimethyl-3-(3-pyrrolidin-1-ylpropyl)guanidine
CID 109483013
2-[2-(Tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
CID 109483062
1-Hept-6-enyl-1,2-dimethyl-3-[[1-(2-methylpropyl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 109483116
1-Hept-6-enyl-1,2-dimethyl-3-[[1-(2-methylpropyl)piperidin-3-yl]methyl]guanidine
CID 109483117
3-[2-(4-Ethylpiperazin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483146

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-1-pent-4-enylguanidine;hydroiodide?
The IUPAC name of 1,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-1-pent-4-enylguanidine;hydroiodide (CID 109498137) is 1,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-1-pent-4-enylguanidine;hydroiodide.
What is the SMILES notation for 1,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-1-pent-4-enylguanidine;hydroiodide?
The canonical SMILES for 1,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-1-pent-4-enylguanidine;hydroiodide is C=CCCCN(C)/C(=N\C)NCCCN1CCCCC1C.I.
What is the InChIKey of 1,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-1-pent-4-enylguanidine;hydroiodide?
The InChIKey is MVNGNFYJPCWRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4.HI/c1-5-6-8-13-20(4)17(18-3)19-12-10-15-21-14-9-7-11-16(21)2;/h5,16H,1,6-15H2,2-4H3,(H,18,19);1H.
What are the key properties of 1,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-1-pent-4-enylguanidine;hydroiodide?
1,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-1-pent-4-enylguanidine;hydroiodide has a molecular weight of 422.40 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-1-pent-4-enylguanidine;hydroiodide is sourced from PubChem (CID 109498137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).