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

C18H37IN4 — CID 109498891

IUPAC1,2-dimethyl-3-[4-(2-methylpiperidin-1-yl)butyl]-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N\C)NCCCCN1CCCCC1C.I
InChIInChI=1S/C18H36N4.HI/c1-5-6-9-14-21(4)18(19-3)20-13-8-11-16-22-15-10-7-12-17(22)2;/h5,17H,1,6-16H2,2-4H3,(H,19,20);1H
InChIKeyCGOLILQRPIMVSV-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.73
Rot. Bonds9

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

1,2-dimethyl-3-[4-(2-methylpiperidin-1-yl)butyl]-1-pent-4-enylguanidine;hydroiodide (PubChem CID 109498891) has the molecular formula C18H37IN4 and a molecular weight of 436.43 g/mol. Its IUPAC name is 1,2-dimethyl-3-[4-(2-methylpiperidin-1-yl)butyl]-1-pent-4-enylguanidine;hydroiodide.

Molecular Properties

Compound Name1,2-dimethyl-3-[4-(2-methylpiperidin-1-yl)butyl]-1-pent-4-enylguanidine;hydroiodide
PubChem CID109498891
Molecular FormulaC18H37IN4
Molecular Weight436.43 g/mol
Exact Mass436.21
IUPAC Name1,2-dimethyl-3-[4-(2-methylpiperidin-1-yl)butyl]-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N\C)NCCCCN1CCCCC1C.I
InChIInChI=1S/C18H36N4.HI/c1-5-6-9-14-21(4)18(19-3)20-13-8-11-16-22-15-10-7-12-17(22)2;/h5,17H,1,6-16H2,2-4H3,(H,19,20);1H
InChIKeyCGOLILQRPIMVSV-UHFFFAOYSA-N
XLogP3.73
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.73
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-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 109483380
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
3-Cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109482952
1-Hept-6-enyl-1,2-dimethyl-3-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 109483012
2-[2-(Tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
CID 109483062
2-[2-(Tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109483063
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-[4-(2-methylpiperidin-1-yl)butyl]-1-pent-4-enylguanidine;hydroiodide?
The IUPAC name of 1,2-dimethyl-3-[4-(2-methylpiperidin-1-yl)butyl]-1-pent-4-enylguanidine;hydroiodide (CID 109498891) is 1,2-dimethyl-3-[4-(2-methylpiperidin-1-yl)butyl]-1-pent-4-enylguanidine;hydroiodide.
What is the SMILES notation for 1,2-dimethyl-3-[4-(2-methylpiperidin-1-yl)butyl]-1-pent-4-enylguanidine;hydroiodide?
The canonical SMILES for 1,2-dimethyl-3-[4-(2-methylpiperidin-1-yl)butyl]-1-pent-4-enylguanidine;hydroiodide is C=CCCCN(C)/C(=N\C)NCCCCN1CCCCC1C.I.
What is the InChIKey of 1,2-dimethyl-3-[4-(2-methylpiperidin-1-yl)butyl]-1-pent-4-enylguanidine;hydroiodide?
The InChIKey is CGOLILQRPIMVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4.HI/c1-5-6-9-14-21(4)18(19-3)20-13-8-11-16-22-15-10-7-12-17(22)2;/h5,17H,1,6-16H2,2-4H3,(H,19,20);1H.
What are the key properties of 1,2-dimethyl-3-[4-(2-methylpiperidin-1-yl)butyl]-1-pent-4-enylguanidine;hydroiodide?
1,2-dimethyl-3-[4-(2-methylpiperidin-1-yl)butyl]-1-pent-4-enylguanidine;hydroiodide has a molecular weight of 436.43 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[4-(2-methylpiperidin-1-yl)butyl]-1-pent-4-enylguanidine;hydroiodide is sourced from PubChem (CID 109498891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).