N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide

C17H29N3O — CID 110053296

IUPACN-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide
SMILESCCC(C)N/C(=N\CCc1ccco1)N1CCCC(C)C1
InChIInChI=1S/C17H29N3O/c1-4-15(3)19-17(20-11-5-7-14(2)13-20)18-10-9-16-8-6-12-21-16/h6,8,12,14-15H,4-5,7,9-11,13H2,1-3H3,(H,18,19)
InChIKeyZHLRTQNTUYSZKW-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.30
Rot. Bonds5

About N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide

N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 110053296) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide
PubChem CID110053296
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide
SMILESCCC(C)N/C(=N\CCc1ccco1)N1CCCC(C)C1
InChIInChI=1S/C17H29N3O/c1-4-15(3)19-17(20-11-5-7-14(2)13-20)18-10-9-16-8-6-12-21-16/h6,8,12,14-15H,4-5,7,9-11,13H2,1-3H3,(H,18,19)
InChIKeyZHLRTQNTUYSZKW-UHFFFAOYSA-N
XLogP3.30
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.30
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-(furan-2-yl)ethyl]-4-methyl-N-propan-2-ylpiperidine-1-carboximidamide;hydroiodide
CID 119139910
N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-4-phenoxypiperidine-1-carboximidamide
CID 110056980
ethyl 1-[N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 110053320
N'-[2-(furan-2-yl)ethyl]-4-hydroxy-N-propan-2-ylpiperidine-1-carboximidamide;hydroiodide
CID 119139978
N'-[2-(furan-2-yl)ethyl]-N-(1-phenylethyl)pyrrolidine-1-carboximidamide
CID 111493000
N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111143765
N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboximidamide
CID 110053744
N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethylsulfonyl)piperazine-1-carboximidamide
CID 110058104
2-[[[2-(furan-2-yl)ethylamino]-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110053298
N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 110057009
N-cyclohexyl-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956337
ethyl 1-[N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110053251

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide (CID 110053296) is N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide is CCC(C)N/C(=N\CCc1ccco1)N1CCCC(C)C1.
What is the InChIKey of N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is ZHLRTQNTUYSZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-15(3)19-17(20-11-5-7-14(2)13-20)18-10-9-16-8-6-12-21-16/h6,8,12,14-15H,4-5,7,9-11,13H2,1-3H3,(H,18,19).
What are the key properties of N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide?
N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 291.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110053296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).