2-[4-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]piperidin-1-yl]acetamide;hydroiodide

C15H32IN5O — CID 111991714

IUPAC2-[4-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]piperidin-1-yl]acetamide;hydroiodide
SMILESCCC(CC)CN/C(=N\C)NC1CCN(CC(N)=O)CC1.I
InChIInChI=1S/C15H31N5O.HI/c1-4-12(5-2)10-18-15(17-3)19-13-6-8-20(9-7-13)11-14(16)21;/h12-13H,4-11H2,1-3H3,(H2,16,21)(H2,17,18,19);1H
InChIKeySSCNSLKLIGVXLH-UHFFFAOYSA-N
MW425.36 g/mol
LogP1.16
Rot. Bonds7

About 2-[4-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]piperidin-1-yl]acetamide;hydroiodide

2-[4-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]piperidin-1-yl]acetamide;hydroiodide (PubChem CID 111991714) has the molecular formula C15H32IN5O and a molecular weight of 425.36 g/mol. Its IUPAC name is 2-[4-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]piperidin-1-yl]acetamide;hydroiodide.

Molecular Properties

Compound Name2-[4-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]piperidin-1-yl]acetamide;hydroiodide
PubChem CID111991714
Molecular FormulaC15H32IN5O
Molecular Weight425.36 g/mol
Exact Mass425.17
IUPAC Name2-[4-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]piperidin-1-yl]acetamide;hydroiodide
SMILESCCC(CC)CN/C(=N\C)NC1CCN(CC(N)=O)CC1.I
InChIInChI=1S/C15H31N5O.HI/c1-4-12(5-2)10-18-15(17-3)19-13-6-8-20(9-7-13)11-14(16)21;/h12-13H,4-11H2,1-3H3,(H2,16,21)(H2,17,18,19);1H
InChIKeySSCNSLKLIGVXLH-UHFFFAOYSA-N
XLogP1.16
TPSA82.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-(2-ethylbutyl)-2-methyl-3-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]guanidine;hydroiodide
CID 111998230
1-(2-ethylbutyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111891458
1-(1-cyclopentylpiperidin-4-yl)-3-(2-ethylbutyl)-2-methylguanidine
CID 111992501
2-[4-[[N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-N'-methylcarbamimidoyl]amino]piperidin-1-yl]acetamide;hydroiodide
CID 111990738
1-(2-ethylbutyl)-2-methyl-3-(1-phenylpiperidin-4-yl)guanidine
CID 111993567
2-methyl-N-[2-[[N'-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111990748
N-[2-[[[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111989722
ethyl 4-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111329741
2-[4-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]piperidin-1-yl]acetamide;hydroiodide
CID 111991736
2-[4-(pentan-3-ylamino)piperidin-1-yl]acetamide
CID 43746855
N-cyclopropyl-4-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]butanamide
CID 111891245
1-(2-ethylbutyl)-2-methyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide
CID 111994382

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]piperidin-1-yl]acetamide;hydroiodide?
The IUPAC name of 2-[4-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]piperidin-1-yl]acetamide;hydroiodide (CID 111991714) is 2-[4-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]piperidin-1-yl]acetamide;hydroiodide.
What is the SMILES notation for 2-[4-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]piperidin-1-yl]acetamide;hydroiodide?
The canonical SMILES for 2-[4-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]piperidin-1-yl]acetamide;hydroiodide is CCC(CC)CN/C(=N\C)NC1CCN(CC(N)=O)CC1.I.
What is the InChIKey of 2-[4-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]piperidin-1-yl]acetamide;hydroiodide?
The InChIKey is SSCNSLKLIGVXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O.HI/c1-4-12(5-2)10-18-15(17-3)19-13-6-8-20(9-7-13)11-14(16)21;/h12-13H,4-11H2,1-3H3,(H2,16,21)(H2,17,18,19);1H.
What are the key properties of 2-[4-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]piperidin-1-yl]acetamide;hydroiodide?
2-[4-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]piperidin-1-yl]acetamide;hydroiodide has a molecular weight of 425.36 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]piperidin-1-yl]acetamide;hydroiodide is sourced from PubChem (CID 111991714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).