1-butan-2-yl-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide

C15H35IN4 — CID 110946325

IUPAC1-butan-2-yl-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide
SMILESCCCN(CCC)CCCN/C(=N\C)NC(C)CC.I
InChIInChI=1S/C15H34N4.HI/c1-6-11-19(12-7-2)13-9-10-17-15(16-5)18-14(4)8-3;/h14H,6-13H2,1-5H3,(H2,16,17,18);1H
InChIKeyNHYXZKGAKZDLLZ-UHFFFAOYSA-N
MW398.38 g/mol
LogP3.08
Rot. Bonds10

About 1-butan-2-yl-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide

1-butan-2-yl-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide (PubChem CID 110946325) has the molecular formula C15H35IN4 and a molecular weight of 398.38 g/mol. Its IUPAC name is 1-butan-2-yl-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-butan-2-yl-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide
PubChem CID110946325
Molecular FormulaC15H35IN4
Molecular Weight398.38 g/mol
Exact Mass398.19
IUPAC Name1-butan-2-yl-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide
SMILESCCCN(CCC)CCCN/C(=N\C)NC(C)CC.I
InChIInChI=1S/C15H34N4.HI/c1-6-11-19(12-7-2)13-9-10-17-15(16-5)18-14(4)8-3;/h14H,6-13H2,1-5H3,(H2,16,17,18);1H
InChIKeyNHYXZKGAKZDLLZ-UHFFFAOYSA-N
XLogP3.08
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 53.08
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-butan-2-yl-3-hexyl-2-methylguanidine
CID 110944622
1-butan-2-yl-3-(3-butoxypropyl)-2-methylguanidine
CID 110944688
1-butan-2-yl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide
CID 110944263
1-(cyclopropylmethyl)-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide
CID 111869545
1-butan-2-yl-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide
CID 110944229
1-[5-(diethylamino)pentan-2-yl]-3-[7-(dimethylamino)heptyl]-2-methylguanidine;hydroiodide
CID 110998176
1-[3-(cyclopropylmethoxy)propyl]-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide
CID 111391574
1-[4-(diethylamino)butyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111000953
1-butan-2-yl-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
CID 110946213
1-butan-2-yl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 110945267
1-[5-(diethylamino)pentan-2-yl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 110998322
1-[3-(diethylamino)propyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943172

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-butan-2-yl-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide (CID 110946325) is 1-butan-2-yl-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-butan-2-yl-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-butan-2-yl-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide is CCCN(CCC)CCCN/C(=N\C)NC(C)CC.I.
What is the InChIKey of 1-butan-2-yl-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide?
The InChIKey is NHYXZKGAKZDLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4.HI/c1-6-11-19(12-7-2)13-9-10-17-15(16-5)18-14(4)8-3;/h14H,6-13H2,1-5H3,(H2,16,17,18);1H.
What are the key properties of 1-butan-2-yl-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide?
1-butan-2-yl-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide has a molecular weight of 398.38 g/mol, XLogP of 3.08, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110946325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).