N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide

C19H34N4 — CID 111744934

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NCC1CCN(C2CC2)C1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C19H34N4/c1-20-18(21-13-16-7-11-22(14-16)17-5-6-17)23-12-10-19(15-23)8-3-2-4-9-19/h16-17H,2-15H2,1H3,(H,20,21)
InChIKeyDJCCABUXLKNHDM-UHFFFAOYSA-N
MW318.51 g/mol
LogP2.70
Rot. Bonds3

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide (PubChem CID 111744934) has the molecular formula C19H34N4 and a molecular weight of 318.51 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
PubChem CID111744934
Molecular FormulaC19H34N4
Molecular Weight318.51 g/mol
Exact Mass318.28
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NCC1CCN(C2CC2)C1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C19H34N4/c1-20-18(21-13-16-7-11-22(14-16)17-5-6-17)23-12-10-19(15-23)8-3-2-4-9-19/h16-17H,2-15H2,1H3,(H,20,21)
InChIKeyDJCCABUXLKNHDM-UHFFFAOYSA-N
XLogP2.70
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 52.70
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'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744409
N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745406
N'-methyl-N-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745032
N'-methyl-N-(oxolan-3-ylmethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 119145377
N'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733449
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153173
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119144779
N,N'-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744241
N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111740374
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109470362
N-(1,4-dioxan-2-ylmethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 119145297
N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744345

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide (CID 111744934) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide is C/N=C(\NCC1CCN(C2CC2)C1)N1CCC2(CCCCC2)C1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide?
The InChIKey is DJCCABUXLKNHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4/c1-20-18(21-13-16-7-11-22(14-16)17-5-6-17)23-12-10-19(15-23)8-3-2-4-9-19/h16-17H,2-15H2,1H3,(H,20,21).
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide has a molecular weight of 318.51 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide is sourced from PubChem (CID 111744934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).