1-butan-2-yl-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide

C14H30IN3 — CID 110944229

IUPAC1-butan-2-yl-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide
SMILESCCC(C)N/C(=N\C)NCCCC1CCCC1.I
InChIInChI=1S/C14H29N3.HI/c1-4-12(2)17-14(15-3)16-11-7-10-13-8-5-6-9-13;/h12-13H,4-11H2,1-3H3,(H2,15,16,17);1H
InChIKeyASHBNFKBWGRWRE-UHFFFAOYSA-N
MW367.32 g/mol
LogP3.54
Rot. Bonds6

About 1-butan-2-yl-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide

1-butan-2-yl-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide (PubChem CID 110944229) has the molecular formula C14H30IN3 and a molecular weight of 367.32 g/mol. Its IUPAC name is 1-butan-2-yl-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-butan-2-yl-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide
PubChem CID110944229
Molecular FormulaC14H30IN3
Molecular Weight367.32 g/mol
Exact Mass367.15
IUPAC Name1-butan-2-yl-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide
SMILESCCC(C)N/C(=N\C)NCCCC1CCCC1.I
InChIInChI=1S/C14H29N3.HI/c1-4-12(2)17-14(15-3)16-11-7-10-13-8-5-6-9-13;/h12-13H,4-11H2,1-3H3,(H2,15,16,17);1H
InChIKeyASHBNFKBWGRWRE-UHFFFAOYSA-N
XLogP3.54
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(3-cyclopentyloxypropyl)-2-methylguanidine
CID 110944370
1-(3-cyclohexylpropyl)-2,3-dimethylguanidine;hydroiodide
CID 110919956
1-(4-cyclohexylbutan-2-yl)-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-methylguanidine;hydroiodide
CID 109482604
1-(3-cyclopentylpropyl)-2-methyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111626175
1-(4-cyclohexylbutan-2-yl)-2-methyl-3-[4-(4-methylpiperazin-1-yl)butyl]guanidine
CID 109482393
1-butan-2-yl-3-hexyl-2-methylguanidine
CID 110944622
1-butan-2-yl-2-methyl-3-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 110943787
4-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
CID 109482722
1-(4-cyclohexylbutan-2-yl)-3-[3-(methanesulfonamido)propyl]-2-methylguanidine
CID 109482667
1-(3-cyclopentylpropyl)-2-methyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 111946772
1-butan-2-yl-3-(3-butoxypropyl)-2-methylguanidine
CID 110944688
1-(3-cyclohexylpropyl)-2-methyl-3-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111947622

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-butan-2-yl-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide (CID 110944229) is 1-butan-2-yl-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-butan-2-yl-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-butan-2-yl-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide is CCC(C)N/C(=N\C)NCCCC1CCCC1.I.
What is the InChIKey of 1-butan-2-yl-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide?
The InChIKey is ASHBNFKBWGRWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3.HI/c1-4-12(2)17-14(15-3)16-11-7-10-13-8-5-6-9-13;/h12-13H,4-11H2,1-3H3,(H2,15,16,17);1H.
What are the key properties of 1-butan-2-yl-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide?
1-butan-2-yl-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide has a molecular weight of 367.32 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110944229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).