2-(cyclobutylmethyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide

C15H31IN4 — CID 111077544

IUPAC2-(cyclobutylmethyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
SMILESCCCN1CCC(CN/C(N)=N/CC2CCC2)CC1.I
InChIInChI=1S/C15H30N4.HI/c1-2-8-19-9-6-14(7-10-19)12-18-15(16)17-11-13-4-3-5-13;/h13-14H,2-12H2,1H3,(H3,16,17,18);1H
InChIKeyZVOXDPFGPDBHAB-UHFFFAOYSA-N
MW394.35 g/mol
LogP2.43
Rot. Bonds6

About 2-(cyclobutylmethyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide

2-(cyclobutylmethyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide (PubChem CID 111077544) has the molecular formula C15H31IN4 and a molecular weight of 394.35 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
PubChem CID111077544
Molecular FormulaC15H31IN4
Molecular Weight394.35 g/mol
Exact Mass394.16
IUPAC Name2-(cyclobutylmethyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
SMILESCCCN1CCC(CN/C(N)=N/CC2CCC2)CC1.I
InChIInChI=1S/C15H30N4.HI/c1-2-8-19-9-6-14(7-10-19)12-18-15(16)17-11-13-4-3-5-13;/h13-14H,2-12H2,1H3,(H3,16,17,18);1H
InChIKeyZVOXDPFGPDBHAB-UHFFFAOYSA-N
XLogP2.43
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 52.43
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-(cyclobutylmethyl)-1-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086790
2-(2-methylpropyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111077501
1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111802069
1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111802070
2-(cyclobutylmethyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine
CID 111090199
2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117526
1-(cyclobutylmethyl)-2-[(3-methylcyclopentyl)methyl]guanidine;hydroiodide
CID 120663205
1-(1-methoxypropan-2-yl)-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111077574
2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034788
1-octyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111081760
1-hexyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111081768
2-(cyclobutylmethyl)-1-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]guanidine
CID 111808376

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 2-(cyclobutylmethyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide (CID 111077544) is 2-(cyclobutylmethyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 2-(cyclobutylmethyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide is CCCN1CCC(CN/C(N)=N/CC2CCC2)CC1.I.
What is the InChIKey of 2-(cyclobutylmethyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide?
The InChIKey is ZVOXDPFGPDBHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4.HI/c1-2-8-19-9-6-14(7-10-19)12-18-15(16)17-11-13-4-3-5-13;/h13-14H,2-12H2,1H3,(H3,16,17,18);1H.
What are the key properties of 2-(cyclobutylmethyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide?
2-(cyclobutylmethyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide has a molecular weight of 394.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111077544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).