N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide

C18H30N4O — CID 111738364

IUPACN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCC(c1ccco1)N1CCCC1)N1CCC(C)(C)C1
InChIInChI=1S/C18H30N4O/c1-18(2)8-11-22(14-18)17(19-3)20-13-15(16-7-6-12-23-16)21-9-4-5-10-21/h6-7,12,15H,4-5,8-11,13-14H2,1-3H3,(H,19,20)
InChIKeyASGAKKYANJZMFI-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.72
Rot. Bonds4

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide (PubChem CID 111738364) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
PubChem CID111738364
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCC(c1ccco1)N1CCCC1)N1CCC(C)(C)C1
InChIInChI=1S/C18H30N4O/c1-18(2)8-11-22(14-18)17(19-3)20-13-15(16-7-6-12-23-16)21-9-4-5-10-21/h6-7,12,15H,4-5,8-11,13-14H2,1-3H3,(H,19,20)
InChIKeyASGAKKYANJZMFI-UHFFFAOYSA-N
XLogP2.72
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-2-pyrrolidin-1-ylethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732603
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119114411
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377573
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220361
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 71931332
3-benzyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111724655
2-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485118
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-prop-2-enylguanidine
CID 110981921
1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111304156
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111001979
1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide
CID 61250554
1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclobutane-1-carboxamide
CID 81172062

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide (CID 111738364) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide is C/N=C(\NCC(c1ccco1)N1CCCC1)N1CCC(C)(C)C1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide?
The InChIKey is ASGAKKYANJZMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-18(2)8-11-22(14-18)17(19-3)20-13-15(16-7-6-12-23-16)21-9-4-5-10-21/h6-7,12,15H,4-5,8-11,13-14H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide?
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide has a molecular weight of 318.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111738364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).