2-[2-(dimethylamino)-4-methylpentyl]-1-(3-methylbutyl)guanidine;hydroiodide

C14H33IN4 — CID 111041738

IUPAC2-[2-(dimethylamino)-4-methylpentyl]-1-(3-methylbutyl)guanidine;hydroiodide
SMILESCC(C)CCN/C(N)=N/CC(CC(C)C)N(C)C.I
InChIInChI=1S/C14H32N4.HI/c1-11(2)7-8-16-14(15)17-10-13(18(5)6)9-12(3)4;/h11-13H,7-10H2,1-6H3,(H3,15,16,17);1H
InChIKeyVOWSHUBYUMLNOZ-UHFFFAOYSA-N
MW384.35 g/mol
LogP2.53
Rot. Bonds8

About 2-[2-(dimethylamino)-4-methylpentyl]-1-(3-methylbutyl)guanidine;hydroiodide

2-[2-(dimethylamino)-4-methylpentyl]-1-(3-methylbutyl)guanidine;hydroiodide (PubChem CID 111041738) has the molecular formula C14H33IN4 and a molecular weight of 384.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-4-methylpentyl]-1-(3-methylbutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-4-methylpentyl]-1-(3-methylbutyl)guanidine;hydroiodide
PubChem CID111041738
Molecular FormulaC14H33IN4
Molecular Weight384.35 g/mol
Exact Mass384.17
IUPAC Name2-[2-(dimethylamino)-4-methylpentyl]-1-(3-methylbutyl)guanidine;hydroiodide
SMILESCC(C)CCN/C(N)=N/CC(CC(C)C)N(C)C.I
InChIInChI=1S/C14H32N4.HI/c1-11(2)7-8-16-14(15)17-10-13(18(5)6)9-12(3)4;/h11-13H,7-10H2,1-6H3,(H3,15,16,17);1H
InChIKeyVOWSHUBYUMLNOZ-UHFFFAOYSA-N
XLogP2.53
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

2-[2-(dimethylamino)-4-methylpentyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111041767
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111056482
2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111814335
1-butyl-2-[2-(diethylamino)-4-methylpentyl]guanidine
CID 111042443
1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110979323
1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030275
2-[7-(dimethylamino)heptyl]-1-(3-methylbutyl)guanidine
CID 111084873
2-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111067385
2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111099775
N'-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111041798
1-(3-methylbutyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070218
1-cyclopropyl-2-[2-(dimethylamino)-4-methylpentyl]-1-methylguanidine
CID 110029728

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-4-methylpentyl]-1-(3-methylbutyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(dimethylamino)-4-methylpentyl]-1-(3-methylbutyl)guanidine;hydroiodide (CID 111041738) is 2-[2-(dimethylamino)-4-methylpentyl]-1-(3-methylbutyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(dimethylamino)-4-methylpentyl]-1-(3-methylbutyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(dimethylamino)-4-methylpentyl]-1-(3-methylbutyl)guanidine;hydroiodide is CC(C)CCN/C(N)=N/CC(CC(C)C)N(C)C.I.
What is the InChIKey of 2-[2-(dimethylamino)-4-methylpentyl]-1-(3-methylbutyl)guanidine;hydroiodide?
The InChIKey is VOWSHUBYUMLNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4.HI/c1-11(2)7-8-16-14(15)17-10-13(18(5)6)9-12(3)4;/h11-13H,7-10H2,1-6H3,(H3,15,16,17);1H.
What are the key properties of 2-[2-(dimethylamino)-4-methylpentyl]-1-(3-methylbutyl)guanidine;hydroiodide?
2-[2-(dimethylamino)-4-methylpentyl]-1-(3-methylbutyl)guanidine;hydroiodide has a molecular weight of 384.35 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-4-methylpentyl]-1-(3-methylbutyl)guanidine;hydroiodide is sourced from PubChem (CID 111041738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).