N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide

C18H27N3O — CID 111153567

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCC1Cc2ccccc2O1)N1CC(C)CC(C)C1
InChIInChI=1S/C18H27N3O/c1-13-8-14(2)12-21(11-13)18(19-3)20-10-16-9-15-6-4-5-7-17(15)22-16/h4-7,13-14,16H,8-12H2,1-3H3,(H,19,20)
InChIKeyRAQJVNLWQVASOG-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.54
Rot. Bonds2

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide (PubChem CID 111153567) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide
PubChem CID111153567
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCC1Cc2ccccc2O1)N1CC(C)CC(C)C1
InChIInChI=1S/C18H27N3O/c1-13-8-14(2)12-21(11-13)18(19-3)20-10-16-9-15-6-4-5-7-17(15)22-16/h4-7,13-14,16H,8-12H2,1-3H3,(H,19,20)
InChIKeyRAQJVNLWQVASOG-UHFFFAOYSA-N
XLogP2.54
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.54
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'}

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111167010
ethyl 1-[N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111155784
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111742294
ethyl 1-[N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155783
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]guanidine
CID 111950001
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-3-propan-2-ylguanidine
CID 111124909
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-3-[3-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111950475
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369115
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylguanidine;hydroiodide
CID 111949830
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-methoxyethyl)-2-methylguanidine
CID 110940538
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiomorpholine-4-carboxamide
CID 94115982
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111018021

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide (CID 111153567) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide is C/N=C(\NCC1Cc2ccccc2O1)N1CC(C)CC(C)C1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide?
The InChIKey is RAQJVNLWQVASOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-13-8-14(2)12-21(11-13)18(19-3)20-10-16-9-15-6-4-5-7-17(15)22-16/h4-7,13-14,16H,8-12H2,1-3H3,(H,19,20).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide has a molecular weight of 301.43 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111153567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).