2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide

C16H31IN4O — CID 119142472

IUPAC2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CC(=O)N(C)C2CCCCC2)C1.I
InChIInChI=1S/C16H30N4O.HI/c1-13-7-6-10-20(12-13)16(17)18-11-15(21)19(2)14-8-4-3-5-9-14;/h13-14H,3-12H2,1-2H3,(H2,17,18);1H
InChIKeyQLMQINQOXSBSKB-UHFFFAOYSA-N
MW422.36 g/mol
LogP2.44
Rot. Bonds3

About 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide

2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide (PubChem CID 119142472) has the molecular formula C16H31IN4O and a molecular weight of 422.36 g/mol. Its IUPAC name is 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide
PubChem CID119142472
Molecular FormulaC16H31IN4O
Molecular Weight422.36 g/mol
Exact Mass422.15
IUPAC Name2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CC(=O)N(C)C2CCCCC2)C1.I
InChIInChI=1S/C16H30N4O.HI/c1-13-7-6-10-20(12-13)16(17)18-11-15(21)19(2)14-8-4-3-5-9-14;/h13-14H,3-12H2,1-2H3,(H2,17,18);1H
InChIKeyQLMQINQOXSBSKB-UHFFFAOYSA-N
XLogP2.44
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
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-[[amino(azepan-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119164080
2-[[amino(morpholin-4-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide
CID 119142484
2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 111034680
2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide;hydroiodide
CID 120973942
2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-benzyl-N-ethylacetamide
CID 111082037
ethyl 4-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]butanoate;hydroiodide
CID 111025639
N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide
CID 111084919
2-[[(cyclohexylmethylamino)-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110037309
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111022707
N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111088654
(3S)-N'-[[(2R)-1,1-dioxothian-2-yl]methyl]-3-methylpiperidine-1-carboximidamide
CID 99853971

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide?
The IUPAC name of 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide (CID 119142472) is 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide is CC1CCCN(/C(N)=N/CC(=O)N(C)C2CCCCC2)C1.I.
What is the InChIKey of 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide?
The InChIKey is QLMQINQOXSBSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O.HI/c1-13-7-6-10-20(12-13)16(17)18-11-15(21)19(2)14-8-4-3-5-9-14;/h13-14H,3-12H2,1-2H3,(H2,17,18);1H.
What are the key properties of 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide?
2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide has a molecular weight of 422.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide is sourced from PubChem (CID 119142472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).