N',3,5-trimethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide

C18H37IN4 — CID 111153844

IUPACN',3,5-trimethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1CCCN(C(C)C)C1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C18H36N4.HI/c1-14(2)21-8-6-7-17(13-21)10-20-18(19-5)22-11-15(3)9-16(4)12-22;/h14-17H,6-13H2,1-5H3,(H,19,20);1H
InChIKeyITANYUJEURPCDR-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.28
Rot. Bonds3

About N',3,5-trimethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide

N',3,5-trimethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111153844) has the molecular formula C18H37IN4 and a molecular weight of 436.43 g/mol. Its IUPAC name is N',3,5-trimethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',3,5-trimethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111153844
Molecular FormulaC18H37IN4
Molecular Weight436.43 g/mol
Exact Mass436.21
IUPAC NameN',3,5-trimethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1CCCN(C(C)C)C1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C18H36N4.HI/c1-14(2)21-8-6-7-17(13-21)10-20-18(19-5)22-11-15(3)9-16(4)12-22;/h14-17H,6-13H2,1-5H3,(H,19,20);1H
InChIKeyITANYUJEURPCDR-UHFFFAOYSA-N
XLogP3.28
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.28
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

N',3-dimethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboximidamide
CID 111144878
N-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111154391
2-ethyl-N'-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide
CID 109486184
ethyl 4-[N'-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111163683
N'-methyl-3-morpholin-4-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111725842
N'-methyl-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111722758
2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 75418999
1,2-dimethyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 110916701
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153173
2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-propylguanidine;hydroiodide
CID 111228410
4-(2,3-dimethylphenyl)-N'-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboximidamide
CID 111238595
1-[3-[di(propan-2-yl)amino]propyl]-2-methyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111692587

Frequently Asked Questions

What is the IUPAC name of N',3,5-trimethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',3,5-trimethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 111153844) is N',3,5-trimethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',3,5-trimethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',3,5-trimethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide is C/N=C(\NCC1CCCN(C(C)C)C1)N1CC(C)CC(C)C1.I.
What is the InChIKey of N',3,5-trimethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is ITANYUJEURPCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4.HI/c1-14(2)21-8-6-7-17(13-21)10-20-18(19-5)22-11-15(3)9-16(4)12-22;/h14-17H,6-13H2,1-5H3,(H,19,20);1H.
What are the key properties of N',3,5-trimethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
N',3,5-trimethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 436.43 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,5-trimethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111153844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).