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

C15H33IN4 — CID 109495996

IUPAC3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N/C)NCCCN(CC)CC.I
InChIInChI=1S/C15H32N4.HI/c1-6-9-10-13-18(5)15(16-4)17-12-11-14-19(7-2)8-3;/h6H,1,7-14H2,2-5H3,(H,16,17);1H
InChIKeySRCGSQOHVLODNM-UHFFFAOYSA-N
MW396.36 g/mol
LogP2.81
Rot. Bonds10

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

3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide (PubChem CID 109495996) has the molecular formula C15H33IN4 and a molecular weight of 396.36 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
PubChem CID109495996
Molecular FormulaC15H33IN4
Molecular Weight396.36 g/mol
Exact Mass396.17
IUPAC Name3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N/C)NCCCN(CC)CC.I
InChIInChI=1S/C15H32N4.HI/c1-6-9-10-13-18(5)15(16-4)17-12-11-14-19(7-2)8-3;/h6H,1,7-14H2,2-5H3,(H,16,17);1H
InChIKeySRCGSQOHVLODNM-UHFFFAOYSA-N
XLogP2.81
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 52.81
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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Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide?
The IUPAC name of 3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide (CID 109495996) is 3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide.
What is the SMILES notation for 3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide?
The canonical SMILES for 3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide is C=CCCCN(C)/C(=N/C)NCCCN(CC)CC.I.
What is the InChIKey of 3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide?
The InChIKey is SRCGSQOHVLODNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4.HI/c1-6-9-10-13-18(5)15(16-4)17-12-11-14-19(7-2)8-3;/h6H,1,7-14H2,2-5H3,(H,16,17);1H.
What are the key properties of 3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide?
3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide has a molecular weight of 396.36 g/mol, XLogP of 2.81, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide is sourced from PubChem (CID 109495996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).