1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide

C15H31IN4 — CID 109497701

IUPAC1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N\C)NCCN1CCCCC1.I
InChIInChI=1S/C15H30N4.HI/c1-4-5-7-11-18(3)15(16-2)17-10-14-19-12-8-6-9-13-19;/h4H,1,5-14H2,2-3H3,(H,16,17);1H
InChIKeyREZUOZHRILKSDE-UHFFFAOYSA-N
MW394.35 g/mol
LogP2.56
Rot. Bonds7

About 1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide

1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide (PubChem CID 109497701) has the molecular formula C15H31IN4 and a molecular weight of 394.35 g/mol. Its IUPAC name is 1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
PubChem CID109497701
Molecular FormulaC15H31IN4
Molecular Weight394.35 g/mol
Exact Mass394.16
IUPAC Name1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N\C)NCCN1CCCCC1.I
InChIInChI=1S/C15H30N4.HI/c1-4-5-7-11-18(3)15(16-2)17-10-14-19-12-8-6-9-13-19;/h4H,1,5-14H2,2-3H3,(H,16,17);1H
InChIKeyREZUOZHRILKSDE-UHFFFAOYSA-N
XLogP2.56
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 52.56
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-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 109484563
1-Hept-6-enyl-1,2-dimethyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 109484564
3-Ethyl-1-methyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-pent-4-enylguanidine;hydroiodide
CID 109497369
1,2-Dimethyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-pent-4-enylguanidine;hydroiodide
CID 109499585
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-propylguanidine;hydroiodide
CID 109482958
2-[2-(Tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
CID 109483062
3-[2-(4-Ethylpiperazin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483146
3-[2-(4-Ethylpiperazin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine
CID 109483147

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide (CID 109497701) is 1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide is C=CCCCN(C)/C(=N\C)NCCN1CCCCC1.I.
What is the InChIKey of 1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide?
The InChIKey is REZUOZHRILKSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4.HI/c1-4-5-7-11-18(3)15(16-2)17-10-14-19-12-8-6-9-13-19;/h4H,1,5-14H2,2-3H3,(H,16,17);1H.
What are the key properties of 1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide?
1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide has a molecular weight of 394.35 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 109497701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).