1-[2-(diethylamino)propyl]-2-methyl-3-pentylguanidine;hydroiodide

C14H33IN4 — CID 111129262

IUPAC1-[2-(diethylamino)propyl]-2-methyl-3-pentylguanidine;hydroiodide
SMILESCCCCCN/C(=N\C)NCC(C)N(CC)CC.I
InChIInChI=1S/C14H32N4.HI/c1-6-9-10-11-16-14(15-5)17-12-13(4)18(7-2)8-3;/h13H,6-12H2,1-5H3,(H2,15,16,17);1H
InChIKeyUNNRSAITDMEVKF-UHFFFAOYSA-N
MW384.35 g/mol
LogP2.69
Rot. Bonds9

About 1-[2-(diethylamino)propyl]-2-methyl-3-pentylguanidine;hydroiodide

1-[2-(diethylamino)propyl]-2-methyl-3-pentylguanidine;hydroiodide (PubChem CID 111129262) has the molecular formula C14H33IN4 and a molecular weight of 384.35 g/mol. Its IUPAC name is 1-[2-(diethylamino)propyl]-2-methyl-3-pentylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(diethylamino)propyl]-2-methyl-3-pentylguanidine;hydroiodide
PubChem CID111129262
Molecular FormulaC14H33IN4
Molecular Weight384.35 g/mol
Exact Mass384.17
IUPAC Name1-[2-(diethylamino)propyl]-2-methyl-3-pentylguanidine;hydroiodide
SMILESCCCCCN/C(=N\C)NCC(C)N(CC)CC.I
InChIInChI=1S/C14H32N4.HI/c1-6-9-10-11-16-14(15-5)17-12-13(4)18(7-2)8-3;/h13H,6-12H2,1-5H3,(H2,15,16,17);1H
InChIKeyUNNRSAITDMEVKF-UHFFFAOYSA-N
XLogP2.69
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-[2-(diethylamino)propyl]-3-(2-ethylbutyl)-2-methylguanidine;hydroiodide
CID 111890678
1-[4-(diethylamino)butyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111178109
tert-butyl N-[3-[[N-[2-(diethylamino)propyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111886143
1-[2-(diethylamino)propyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111904245
1-butyl-3-(2-ethylbutyl)-2-methylguanidine;hydroiodide
CID 111778360
2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-pentylguanidine;hydroiodide
CID 111129208
1-[2-(diethylamino)propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111415705
1-butyl-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111150099
1-[2-(diethylamino)-4-methylpentyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110976594
1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hexyl-2-methylguanidine;hydroiodide
CID 111161790
2-methyl-1-[2-(4-methylpiperidin-1-yl)propyl]-3-pentylguanidine;hydroiodide
CID 111129072
1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111179934

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)propyl]-2-methyl-3-pentylguanidine;hydroiodide?
The IUPAC name of 1-[2-(diethylamino)propyl]-2-methyl-3-pentylguanidine;hydroiodide (CID 111129262) is 1-[2-(diethylamino)propyl]-2-methyl-3-pentylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(diethylamino)propyl]-2-methyl-3-pentylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(diethylamino)propyl]-2-methyl-3-pentylguanidine;hydroiodide is CCCCCN/C(=N\C)NCC(C)N(CC)CC.I.
What is the InChIKey of 1-[2-(diethylamino)propyl]-2-methyl-3-pentylguanidine;hydroiodide?
The InChIKey is UNNRSAITDMEVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4.HI/c1-6-9-10-11-16-14(15-5)17-12-13(4)18(7-2)8-3;/h13H,6-12H2,1-5H3,(H2,15,16,17);1H.
What are the key properties of 1-[2-(diethylamino)propyl]-2-methyl-3-pentylguanidine;hydroiodide?
1-[2-(diethylamino)propyl]-2-methyl-3-pentylguanidine;hydroiodide has a molecular weight of 384.35 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)propyl]-2-methyl-3-pentylguanidine;hydroiodide is sourced from PubChem (CID 111129262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).