N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide

C20H32N4O — CID 111732603

IUPACN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESC/N=C(\NCC(c1ccco1)N1CCCC1)N1CCC2(CCCC2)C1
InChIInChI=1S/C20H32N4O/c1-21-19(24-13-10-20(16-24)8-2-3-9-20)22-15-17(18-7-6-14-25-18)23-11-4-5-12-23/h6-7,14,17H,2-5,8-13,15-16H2,1H3,(H,21,22)
InChIKeyLQRIHRIULZMYLQ-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.26
Rot. Bonds4

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide (PubChem CID 111732603) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
PubChem CID111732603
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESC/N=C(\NCC(c1ccco1)N1CCCC1)N1CCC2(CCCC2)C1
InChIInChI=1S/C20H32N4O/c1-21-19(24-13-10-20(16-24)8-2-3-9-20)22-15-17(18-7-6-14-25-18)23-11-4-5-12-23/h6-7,14,17H,2-5,8-13,15-16H2,1H3,(H,21,22)
InChIKeyLQRIHRIULZMYLQ-UHFFFAOYSA-N
XLogP3.26
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.26
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',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738364
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
N'-methyl-N-(2-pyrrolidin-1-ylbutyl)-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733471
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide (CID 111732603) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide is C/N=C(\NCC(c1ccco1)N1CCCC1)N1CCC2(CCCC2)C1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide?
The InChIKey is LQRIHRIULZMYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-21-19(24-13-10-20(16-24)8-2-3-9-20)22-15-17(18-7-6-14-25-18)23-11-4-5-12-23/h6-7,14,17H,2-5,8-13,15-16H2,1H3,(H,21,22).
What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide?
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide has a molecular weight of 344.50 g/mol, XLogP of 3.26, 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'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide is sourced from PubChem (CID 111732603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).