1-(6-methylheptan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide

C16H33IN4O — CID 111058307

IUPAC1-(6-methylheptan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
SMILESCC(C)CCCC(C)N/C(N)=N/CC(=O)N1CCCCC1.I
InChIInChI=1S/C16H32N4O.HI/c1-13(2)8-7-9-14(3)19-16(17)18-12-15(21)20-10-5-4-6-11-20;/h13-14H,4-12H2,1-3H3,(H3,17,18,19);1H
InChIKeyLHRRCCHVCBWPPI-UHFFFAOYSA-N
MW424.37 g/mol
LogP2.74
Rot. Bonds7

About 1-(6-methylheptan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide

1-(6-methylheptan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide (PubChem CID 111058307) has the molecular formula C16H33IN4O and a molecular weight of 424.37 g/mol. Its IUPAC name is 1-(6-methylheptan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(6-methylheptan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
PubChem CID111058307
Molecular FormulaC16H33IN4O
Molecular Weight424.37 g/mol
Exact Mass424.17
IUPAC Name1-(6-methylheptan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
SMILESCC(C)CCCC(C)N/C(N)=N/CC(=O)N1CCCCC1.I
InChIInChI=1S/C16H32N4O.HI/c1-13(2)8-7-9-14(3)19-16(17)18-12-15(21)20-10-5-4-6-11-20;/h13-14H,4-12H2,1-3H3,(H3,17,18,19);1H
InChIKeyLHRRCCHVCBWPPI-UHFFFAOYSA-N
XLogP2.74
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.37
LogP ≤ 52.74
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

N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]acetamide;hydroiodide
CID 110034416
2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111500202
2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111500203
2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111819651
2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111819652
2-[[ethylamino-[2-(2-ethylpiperidin-1-yl)ethylamino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 112046231
2-[[N-[1-(cyclohexylmethyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 112052619
N-[N'-[(2R)-1-cyclohexyl-3-piperidin-3-ylpropan-2-yl]carbamimidoyl]-N-methylacetamide
CID 89373479
1-[(3R)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylguanidine
CID 143219836
(2S)-N-butyl-2-[[N'-(cyclohexylmethyl)carbamimidoyl]amino]-3-methylbutanamide
CID 11130715
N-cyclopropyl-2-[4-[N-(2,2-dicyclopropylethyl)-N'-methylcarbamimidoyl]piperazin-1-yl]acetamide;hydroiodide
CID 75423362
N-cyclopropyl-2-[4-[N-(2,2-dicyclopropylethyl)-N'-methylcarbamimidoyl]piperazin-1-yl]acetamide
CID 75423363

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylheptan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-(6-methylheptan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide (CID 111058307) is 1-(6-methylheptan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(6-methylheptan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(6-methylheptan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide is CC(C)CCCC(C)N/C(N)=N/CC(=O)N1CCCCC1.I.
What is the InChIKey of 1-(6-methylheptan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide?
The InChIKey is LHRRCCHVCBWPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O.HI/c1-13(2)8-7-9-14(3)19-16(17)18-12-15(21)20-10-5-4-6-11-20;/h13-14H,4-12H2,1-3H3,(H3,17,18,19);1H.
What are the key properties of 1-(6-methylheptan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide?
1-(6-methylheptan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide has a molecular weight of 424.37 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylheptan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111058307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).