N'-methyl-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboximidamide

C15H29N3O — CID 111734647

IUPACN'-methyl-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCC1CCCO1)N1CCC(CC(C)C)C1
InChIInChI=1S/C15H29N3O/c1-12(2)9-13-6-7-18(11-13)15(16-3)17-10-14-5-4-8-19-14/h12-14H,4-11H2,1-3H3,(H,16,17)
InChIKeyBCOPIDHPLFISEW-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.11
Rot. Bonds4

About N'-methyl-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboximidamide

N'-methyl-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboximidamide (PubChem CID 111734647) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N'-methyl-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboximidamide
PubChem CID111734647
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN'-methyl-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCC1CCCO1)N1CCC(CC(C)C)C1
InChIInChI=1S/C15H29N3O/c1-12(2)9-13-6-7-18(11-13)15(16-3)17-10-14-5-4-8-19-14/h12-14H,4-11H2,1-3H3,(H,16,17)
InChIKeyBCOPIDHPLFISEW-UHFFFAOYSA-N
XLogP2.11
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.11
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',4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboximidamide
CID 111210675
N-cyclobutyl-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119154085
N'-methyl-N-(oxolan-2-ylmethyl)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 119144810
N-[7-(dimethylamino)heptyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734548
N-(3-ethoxypropyl)-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 111734385
N-(2-ethylsulfonylethyl)-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734876
N-[2-[ethyl(methyl)amino]ethyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734420
methyl 1-[N'-methyl-N-(oxan-2-ylmethyl)carbamimidoyl]piperidine-4-carboxylate
CID 119131170
N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111733982
ethyl 1-[N'-methyl-N-(oxolan-2-ylmethyl)carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110994002
N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119143353
N'-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide
CID 95571142

Frequently Asked Questions

What is the IUPAC name of N'-methyl-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboximidamide (CID 111734647) is N'-methyl-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboximidamide is C/N=C(\NCC1CCCO1)N1CCC(CC(C)C)C1.
What is the InChIKey of N'-methyl-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboximidamide?
The InChIKey is BCOPIDHPLFISEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(2)9-13-6-7-18(11-13)15(16-3)17-10-14-5-4-8-19-14/h12-14H,4-11H2,1-3H3,(H,16,17).
What are the key properties of N'-methyl-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboximidamide?
N'-methyl-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboximidamide has a molecular weight of 267.42 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111734647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).