1-(cyclobutylmethyl)-2-[(3-methylcyclopentyl)methyl]guanidine;hydroiodide

C13H26IN3 — CID 120663205

IUPAC1-(cyclobutylmethyl)-2-[(3-methylcyclopentyl)methyl]guanidine;hydroiodide
SMILESCC1CCC(C/N=C(\N)NCC2CCC2)C1.I
InChIInChI=1S/C13H25N3.HI/c1-10-5-6-12(7-10)9-16-13(14)15-8-11-3-2-4-11;/h10-12H,2-9H2,1H3,(H3,14,15,16);1H
InChIKeyQAPUNVTVLUCSIP-UHFFFAOYSA-N
MW351.28 g/mol
LogP2.74
Rot. Bonds4

About 1-(cyclobutylmethyl)-2-[(3-methylcyclopentyl)methyl]guanidine;hydroiodide

1-(cyclobutylmethyl)-2-[(3-methylcyclopentyl)methyl]guanidine;hydroiodide (PubChem CID 120663205) has the molecular formula C13H26IN3 and a molecular weight of 351.28 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-[(3-methylcyclopentyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-[(3-methylcyclopentyl)methyl]guanidine;hydroiodide
PubChem CID120663205
Molecular FormulaC13H26IN3
Molecular Weight351.28 g/mol
Exact Mass351.12
IUPAC Name1-(cyclobutylmethyl)-2-[(3-methylcyclopentyl)methyl]guanidine;hydroiodide
SMILESCC1CCC(C/N=C(\N)NCC2CCC2)C1.I
InChIInChI=1S/C13H25N3.HI/c1-10-5-6-12(7-10)9-16-13(14)15-8-11-3-2-4-11;/h10-12H,2-9H2,1H3,(H3,14,15,16);1H
InChIKeyQAPUNVTVLUCSIP-UHFFFAOYSA-N
XLogP2.74
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(cyclobutylmethyl)-1-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086790
1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111802069
2-(cyclobutylmethyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111077544
1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111802070
1-(cyclopropylmethyl)-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 111868697
1-(cyclobutylmethyl)-2-[(1,1-dioxothiolan-3-yl)methyl]guanidine
CID 119118287
2-(cyclobutylmethyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine
CID 111090199
N'-[(3-methylcyclopentyl)methyl]propanimidamide
CID 107415433
1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111075034
1-(cyclobutylmethyl)-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine
CID 111055057
1-(cyclobutylmethyl)-2-[(1-methoxycyclobutyl)methyl]guanidine;hydroiodide
CID 110017961
(3-methylcyclopentyl)methylurea
CID 20542807

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-[(3-methylcyclopentyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(cyclobutylmethyl)-2-[(3-methylcyclopentyl)methyl]guanidine;hydroiodide (CID 120663205) is 1-(cyclobutylmethyl)-2-[(3-methylcyclopentyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-[(3-methylcyclopentyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(cyclobutylmethyl)-2-[(3-methylcyclopentyl)methyl]guanidine;hydroiodide is CC1CCC(C/N=C(\N)NCC2CCC2)C1.I.
What is the InChIKey of 1-(cyclobutylmethyl)-2-[(3-methylcyclopentyl)methyl]guanidine;hydroiodide?
The InChIKey is QAPUNVTVLUCSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3.HI/c1-10-5-6-12(7-10)9-16-13(14)15-8-11-3-2-4-11;/h10-12H,2-9H2,1H3,(H3,14,15,16);1H.
What are the key properties of 1-(cyclobutylmethyl)-2-[(3-methylcyclopentyl)methyl]guanidine;hydroiodide?
1-(cyclobutylmethyl)-2-[(3-methylcyclopentyl)methyl]guanidine;hydroiodide has a molecular weight of 351.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-[(3-methylcyclopentyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 120663205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).